cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)

C46H51O6Ti+ — CID 23231354

IUPACcyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)
SMILESC1CCCC1.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[CH2-]/C=C/Oc1ccc(OC)cc1.[Ti+2]
InChIInChI=1S/C31H30O4.C10H11O2.C5H10.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;1-3-8-12-10-6-4-9(11-2)5-7-10;1-2-4-5-3-1;/h3-22,27-28,32-33H,1-2H3;3-8H,1H2,2H3;1-5H2;/q;-1;;+2/b;8-3+;;/t27-,28-;;;/m1.../s1
InChIKeyKLBILYMFPIZQKM-BZGBREKFSA-N
MW747.77 g/mol
LogP9.75
Rot. Bonds9

About cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)

cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+) (PubChem CID 23231354) has the molecular formula C46H51O6Ti+ and a molecular weight of 747.77 g/mol. Its IUPAC name is cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+).

Molecular Properties

Compound Namecyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)
PubChem CID23231354
Molecular FormulaC46H51O6Ti+
Molecular Weight747.77 g/mol
Exact Mass747.32
IUPAC Namecyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)
SMILESC1CCCC1.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[CH2-]/C=C/Oc1ccc(OC)cc1.[Ti+2]
InChIInChI=1S/C31H30O4.C10H11O2.C5H10.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;1-3-8-12-10-6-4-9(11-2)5-7-10;1-2-4-5-3-1;/h3-22,27-28,32-33H,1-2H3;3-8H,1H2,2H3;1-5H2;/q;-1;;+2/b;8-3+;;/t27-,28-;;;/m1.../s1
InChIKeyKLBILYMFPIZQKM-BZGBREKFSA-N
XLogP9.75
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.77
LogP ≤ 59.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)?
The IUPAC name of cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+) (CID 23231354) is cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+).
What is the SMILES notation for cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)?
The canonical SMILES for cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+) is C1CCCC1.CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.[CH2-]/C=C/Oc1ccc(OC)cc1.[Ti+2].
What is the InChIKey of cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)?
The InChIKey is KLBILYMFPIZQKM-BZGBREKFSA-N. The full InChI is InChI=1S/C31H30O4.C10H11O2.C5H10.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;1-3-8-12-10-6-4-9(11-2)5-7-10;1-2-4-5-3-1;/h3-22,27-28,32-33H,1-2H3;3-8H,1H2,2H3;1-5H2;/q;-1;;+2/b;8-3+;;/t27-,28-;;;/m1.../s1.
What are the key properties of cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+)?
cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+) has a molecular weight of 747.77 g/mol, XLogP of 9.75, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;1-methoxy-4-[(E)-prop-1-enoxy]benzene;titanium(2+) is sourced from PubChem (CID 23231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).