[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium

C62H80O7Ti — CID 159001938

IUPAC[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium
SMILESCC(=O)/C=C(C)/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C.CC(C)O.CC(C)O.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[Ti]
InChIInChI=1S/C31H30O4.C25H34O.2C3H8O.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-17(14-18(2)26)8-9-20-16-25(20,7)19-10-11-21-22(15-19)24(5,6)13-12-23(21,3)4;2*1-3(2)4;/h3-22,27-28,32-33H,1-2H3;8-11,14-15,20H,12-13,16H2,1-7H3;2*3-4H,1-2H3;/b;9-8+,17-14+;;;/t27-,28-;;;;/m1..../s1
InChIKeyGWGHWAGKIOEDMW-UCQLYOORSA-N
MW985.18 g/mol
LogP12.56
Rot. Bonds10

About [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium (PubChem CID 159001938) has the molecular formula C62H80O7Ti and a molecular weight of 985.18 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium
PubChem CID159001938
Molecular FormulaC62H80O7Ti
Molecular Weight985.18 g/mol
Exact Mass984.54
IUPAC Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium
SMILESCC(=O)/C=C(C)/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C.CC(C)O.CC(C)O.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[Ti]
InChIInChI=1S/C31H30O4.C25H34O.2C3H8O.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-17(14-18(2)26)8-9-20-16-25(20,7)19-10-11-21-22(15-19)24(5,6)13-12-23(21,3)4;2*1-3(2)4;/h3-22,27-28,32-33H,1-2H3;8-11,14-15,20H,12-13,16H2,1-7H3;2*3-4H,1-2H3;/b;9-8+,17-14+;;;/t27-,28-;;;;/m1..../s1
InChIKeyGWGHWAGKIOEDMW-UCQLYOORSA-N
XLogP12.56
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.18
LogP ≤ 512.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium with MolForge

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Related Compounds

(4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 155293178
(2E,4E)-3-methyl-5-[(2R)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
CID 143447931
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;propan-2-ol;titanium
CID 14400222
5-[(1S,2S)-2-(3,3-dimethyl-7-propan-2-yl-2H-1-benzofuran-5-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 91371261
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;titanium(2+)
CID 138966607
ethyl 5-[(1S,2S)-2-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate
CID 57275797
(2E,4E)-5-[2-(3,5-dimethylphenyl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 21348175
(2E,4E)-5-[2-[7-(2,6-dimethylphenyl)-3,3-dimethyl-2H-1-benzofuran-5-yl]-2-methylcyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 22731333
ethyl 5-[(1S,2S)-2-(4,4-dimethyl-2-oxo-1-propan-2-yl-3H-quinolin-6-yl)-2-methylcyclopropyl]-3-methylpenta-2,4-dienoate
CID 57034409
dichlorotitanium;[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 10603379
5-[(1S,2R,3R)-3-(methoxymethyl)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 91277290
5-[(1R,2R,3S)-3-(methoxymethyl)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]-3-methylpenta-2,4-dienoic acid
CID 90983188

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium?
The IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium (CID 159001938) is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium.
What is the SMILES notation for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium?
The canonical SMILES for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium is CC(=O)/C=C(C)/C=C/C1CC1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C.CC(C)O.CC(C)O.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[Ti].
What is the InChIKey of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium?
The InChIKey is GWGHWAGKIOEDMW-UCQLYOORSA-N. The full InChI is InChI=1S/C31H30O4.C25H34O.2C3H8O.Ti/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26;1-17(14-18(2)26)8-9-20-16-25(20,7)19-10-11-21-22(15-19)24(5,6)13-12-23(21,3)4;2*1-3(2)4;/h3-22,27-28,32-33H,1-2H3;8-11,14-15,20H,12-13,16H2,1-7H3;2*3-4H,1-2H3;/b;9-8+,17-14+;;;/t27-,28-;;;;/m1..../s1.
What are the key properties of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium?
[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium has a molecular weight of 985.18 g/mol, XLogP of 12.56, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;(3E,5E)-4-methyl-6-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]hexa-3,5-dien-2-one;bis(propan-2-ol);titanium is sourced from PubChem (CID 159001938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).