2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C40H58O — CID 142283117

IUPAC2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)CC(COC)C1CCC(CCc2ccc(C3CCC4CC(c5ccc(CCC)cc5)CCC4C3)cc2)CC1
InChIInChI=1S/C40H58O/c1-5-6-30-9-15-33(16-10-30)36-21-23-39-27-37(22-24-38(39)26-36)34-17-11-31(12-18-34)7-8-32-13-19-35(20-14-32)40(28-41-4)25-29(2)3/h9-12,15-18,32,35-40H,2,5-8,13-14,19-28H2,1,3-4H3
InChIKeyABSWRYGOPRFHLK-UHFFFAOYSA-N
MW554.90 g/mol
LogP11.07
Rot. Bonds12

About 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142283117) has the molecular formula C40H58O and a molecular weight of 554.90 g/mol. Its IUPAC name is 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142283117
Molecular FormulaC40H58O
Molecular Weight554.90 g/mol
Exact Mass554.45
IUPAC Name2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)CC(COC)C1CCC(CCc2ccc(C3CCC4CC(c5ccc(CCC)cc5)CCC4C3)cc2)CC1
InChIInChI=1S/C40H58O/c1-5-6-30-9-15-33(16-10-30)36-21-23-39-27-37(22-24-38(39)26-36)34-17-11-31(12-18-34)7-8-32-13-19-35(20-14-32)40(28-41-4)25-29(2)3/h9-12,15-18,32,35-40H,2,5-8,13-14,19-28H2,1,3-4H3
InChIKeyABSWRYGOPRFHLK-UHFFFAOYSA-N
XLogP11.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.90
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

[3-methoxy-2-[4-[2-[4-[4-(4-pentylphenyl)cyclohexyl]phenyl]ethyl]cyclohexyl]propyl] 2-(hydroxymethyl)prop-2-enoate
CID 138529431
(2R,4aR,8aR)-2-but-3-enyl-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809752
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
2-(hydroxymethyl)prop-2-enal;1-[4-[4-[4-methoxy-3-(methoxymethyl)butyl]cyclohexyl]cyclohexyl]-4-pentylbenzene;2-methylprop-2-enal
CID 142282358
2-(4-methylcyclohexyl)-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837511
[2-(hydroxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]propyl] 2-methylprop-2-enoate
CID 139525265
1-(1,3-dimethoxypropan-2-yl)-4-(4-propylcyclohexyl)cyclohexane
CID 142282795
2-[4-[2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]ethyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967536
(4aR,6R,8aR)-2-hexyl-6-[4-(4-propylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809518
2-(4-prop-2-enylphenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837174
2-[2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]ethyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967472

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142283117) is 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=C(C)CC(COC)C1CCC(CCc2ccc(C3CCC4CC(c5ccc(CCC)cc5)CCC4C3)cc2)CC1.
What is the InChIKey of 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is ABSWRYGOPRFHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O/c1-5-6-30-9-15-33(16-10-30)36-21-23-39-27-37(22-24-38(39)26-36)34-17-11-31(12-18-34)7-8-32-13-19-35(20-14-32)40(28-41-4)25-29(2)3/h9-12,15-18,32,35-40H,2,5-8,13-14,19-28H2,1,3-4H3.
What are the key properties of 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 554.90 g/mol, XLogP of 11.07, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(1-methoxy-4-methylpent-4-en-2-yl)cyclohexyl]ethyl]phenyl]-6-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142283117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).