2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene

C32H44O — CID 139862355

IUPAC2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCC4CCC(/C=C/CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H44O/c1-3-5-6-7-25-8-10-26(11-9-25)12-13-27-14-16-28(17-15-27)29-18-19-31-24-32(33-22-4-2)21-20-30(31)23-29/h4,6-7,18-21,23-28H,2-3,5,8-17,22H2,1H3/b7-6+
InChIKeyCZKHEUZEHFFKHS-VOTSOKGWSA-N
MW444.70 g/mol
LogP9.62
Rot. Bonds10

About 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene

2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (PubChem CID 139862355) has the molecular formula C32H44O and a molecular weight of 444.70 g/mol. Its IUPAC name is 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
PubChem CID139862355
Molecular FormulaC32H44O
Molecular Weight444.70 g/mol
Exact Mass444.34
IUPAC Name2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCC4CCC(/C=C/CCC)CC4)CC3)ccc2c1
InChIInChI=1S/C32H44O/c1-3-5-6-7-25-8-10-26(11-9-25)12-13-27-14-16-28(17-15-27)29-18-19-31-24-32(33-22-4-2)21-20-30(31)23-29/h4,6-7,18-21,23-28H,2-3,5,8-17,22H2,1H3/b7-6+
InChIKeyCZKHEUZEHFFKHS-VOTSOKGWSA-N
XLogP9.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.70
LogP ≤ 59.62
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-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene with MolForge

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Related Compounds

2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139863124
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139861791
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
1-chloro-4-[4-[2-(4-pent-1-enylcyclohexyl)ethyl]cyclohexyl]benzene
CID 54039737
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (CID 139862355) is 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC(CCC4CCC(/C=C/CCC)CC4)CC3)ccc2c1.
What is the InChIKey of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The InChIKey is CZKHEUZEHFFKHS-VOTSOKGWSA-N. The full InChI is InChI=1S/C32H44O/c1-3-5-6-7-25-8-10-26(11-9-25)12-13-27-14-16-28(17-15-27)29-18-19-31-24-32(33-22-4-2)21-20-30(31)23-29/h4,6-7,18-21,23-28H,2-3,5,8-17,22H2,1H3/b7-6+.
What are the key properties of 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene has a molecular weight of 444.70 g/mol, XLogP of 9.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139862355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).