2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene

C27H36O — CID 139861327

IUPAC2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C27H36O/c1-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28-2)17-16-25(26)18-22/h3,10,15-21,23-24H,1,4-9,11-14H2,2H3
InChIKeySIYJVOFWLJXUPU-UHFFFAOYSA-N
MW376.58 g/mol
LogP7.58
Rot. Bonds6

About 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene

2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene (PubChem CID 139861327) has the molecular formula C27H36O and a molecular weight of 376.58 g/mol. Its IUPAC name is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
PubChem CID139861327
Molecular FormulaC27H36O
Molecular Weight376.58 g/mol
Exact Mass376.28
IUPAC Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1
InChIInChI=1S/C27H36O/c1-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28-2)17-16-25(26)18-22/h3,10,15-21,23-24H,1,4-9,11-14H2,2H3
InChIKeySIYJVOFWLJXUPU-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.58
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862828
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4-methoxybenzene
CID 141151529
2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139861903
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
CID 139863649
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034
2-methoxy-6-prop-2-enylnaphthalene
CID 55253268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene?
The IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene (CID 139861327) is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene.
What is the SMILES notation for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene?
The canonical SMILES for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene is C=CC1CCC(C2CCC(CCc3ccc4cc(OC)ccc4c3)CC2)CC1.
What is the InChIKey of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene?
The InChIKey is SIYJVOFWLJXUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O/c1-3-20-6-11-23(12-7-20)24-13-8-21(9-14-24)4-5-22-10-15-26-19-27(28-2)17-16-25(26)18-22/h3,10,15-21,23-24H,1,4-9,11-14H2,2H3.
What are the key properties of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene?
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene has a molecular weight of 376.58 g/mol, XLogP of 7.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene is sourced from PubChem (CID 139861327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).