2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene

C29H38O — CID 139863124

IUPAC2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1
InChIInChI=1S/C29H38O/c1-3-19-30-29-18-17-27-20-26(15-16-28(27)21-29)25-13-11-24(12-14-25)10-9-23-7-5-22(4-2)6-8-23/h3-4,15-18,20-25H,1-2,5-14,19H2
InChIKeyKNZFQWXXOYPOHB-UHFFFAOYSA-N
MW402.62 g/mol
LogP8.45
Rot. Bonds8

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

2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (PubChem CID 139863124) has the molecular formula C29H38O and a molecular weight of 402.62 g/mol. Its IUPAC name is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
PubChem CID139863124
Molecular FormulaC29H38O
Molecular Weight402.62 g/mol
Exact Mass402.29
IUPAC Name2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1
InChIInChI=1S/C29H38O/c1-3-19-30-29-18-17-27-20-26(15-16-28(27)21-29)25-13-11-24(12-14-25)10-9-23-7-5-22(4-2)6-8-23/h3-4,15-18,20-25H,1-2,5-14,19H2
InChIKeyKNZFQWXXOYPOHB-UHFFFAOYSA-N
XLogP8.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 58.45
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-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139861791
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139862355
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
CID 139862921
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
2-(4-prop-2-enoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837373
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene (CID 139863124) is 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC(CCC4CCC(C=C)CC4)CC3)ccc2c1.
What is the InChIKey of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
The InChIKey is KNZFQWXXOYPOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38O/c1-3-19-30-29-18-17-27-20-26(15-16-28(27)21-29)25-13-11-24(12-14-25)10-9-23-7-5-22(4-2)6-8-23/h3-4,15-18,20-25H,1-2,5-14,19H2.
What are the key properties of 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene?
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene has a molecular weight of 402.62 g/mol, XLogP of 8.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139863124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).