(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane

C33H42O2 — CID 144566051

IUPAC(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane
SMILESC=C(/C=C1/CC2CC2/C1=C/C)OCc1cccc(-c2c(C)cc(OCCCC(C)(C)C)cc2C)c1
InChIInChI=1S/C33H42O2/c1-8-30-27(19-28-20-31(28)30)17-24(4)35-21-25-11-9-12-26(18-25)32-22(2)15-29(16-23(32)3)34-14-10-13-33(5,6)7/h8-9,11-12,15-18,28,31H,4,10,13-14,19-21H2,1-3,5-7H3/b27-17-,30-8+
InChIKeyRZQGLNMLQPYIRW-FOORWVPGSA-N
MW470.70 g/mol
LogP9.12
Rot. Bonds9

About (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane

(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane (PubChem CID 144566051) has the molecular formula C33H42O2 and a molecular weight of 470.70 g/mol. Its IUPAC name is (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane
PubChem CID144566051
Molecular FormulaC33H42O2
Molecular Weight470.70 g/mol
Exact Mass470.32
IUPAC Name(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane
SMILESC=C(/C=C1/CC2CC2/C1=C/C)OCc1cccc(-c2c(C)cc(OCCCC(C)(C)C)cc2C)c1
InChIInChI=1S/C33H42O2/c1-8-30-27(19-28-20-31(28)30)17-24(4)35-21-25-11-9-12-26(18-25)32-22(2)15-29(16-23(32)3)34-14-10-13-33(5,6)7/h8-9,11-12,15-18,28,31H,4,10,13-14,19-21H2,1-3,5-7H3/b27-17-,30-8+
InChIKeyRZQGLNMLQPYIRW-FOORWVPGSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane with MolForge

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Related Compounds

5-[4-[3-(9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yloxymethyl)phenyl]-3,5-dimethylphenoxy]-2,2-dimethylpentanenitrile;ethyl formate
CID 144562832
ethyl (2R,3S,4R)-8-[[3-[4-(4-cyano-4-methylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]-10-ethyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylate
CID 155657592
2,2-diethyl-5-[4-[6-[[(3Z)-3-[(1R,2Z,5R)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-yl]oxymethyl]-5-fluoro-2-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]-3-methylphenyl]pentanenitrile
CID 155394159
(3Z)-3-[(2Z)-2-ethylidene-3-bicyclo[3.1.0]hexanylidene]prop-1-en-2-ol
CID 144565996
(3S,4R)-8-[[3-[4-(4-isocyano-4-methylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene-3-carboxylic acid
CID 123938142
3-[(1S)-5-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1H-inden-1-yl]prop-1-en-2-ol
CID 129156077
2-[5-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-3-methylidene-1,2-dihydroinden-1-yl]acetic acid
CID 91663309
5-[4-[[3-[4-(3-hydroxypropoxy)-2,6-dimethylphenyl]phenyl]methoxy]phenyl]-1,2-thiazol-3-one
CID 123451038
4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 72549655
[4-[[3-[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2,6-dimethylphenyl]phenyl]methoxy]phenyl]-N-methylboronamidic acid
CID 123235911
N-[3-[4-[3-(ethoxymethyl)phenyl]-3,5-dimethylphenoxy]propyl]methanesulfonamide
CID 118398659
2-[6-[[3-[2,6-dimethyl-4-(3-methylsulfinylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetaldehyde
CID 167220612

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane?
The IUPAC name of (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane (CID 144566051) is (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane?
The canonical SMILES for (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane is C=C(/C=C1/CC2CC2/C1=C/C)OCc1cccc(-c2c(C)cc(OCCCC(C)(C)C)cc2C)c1.
What is the InChIKey of (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane?
The InChIKey is RZQGLNMLQPYIRW-FOORWVPGSA-N. The full InChI is InChI=1S/C33H42O2/c1-8-30-27(19-28-20-31(28)30)17-24(4)35-21-25-11-9-12-26(18-25)32-22(2)15-29(16-23(32)3)34-14-10-13-33(5,6)7/h8-9,11-12,15-18,28,31H,4,10,13-14,19-21H2,1-3,5-7H3/b27-17-,30-8+.
What are the key properties of (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane?
(2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane has a molecular weight of 470.70 g/mol, XLogP of 9.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-[2-[[3-[4-(4,4-dimethylpentoxy)-2,6-dimethylphenyl]phenyl]methoxy]prop-2-enylidene]-2-ethylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 144566051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).