2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene

C30H40 — CID 139862828

IUPAC2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC=CCCc1ccc2cc(CCC3CCC(C4CCC(C=C)CC4)CC3)ccc2c1
InChIInChI=1S/C30H40/c1-3-5-6-25-13-19-30-22-26(14-20-29(30)21-25)8-7-24-11-17-28(18-12-24)27-15-9-23(4-2)10-16-27/h3-4,13-14,19-24,27-28H,1-2,5-12,15-18H2
InChIKeyXVXXXZJDYFGDEU-UHFFFAOYSA-N
MW400.65 g/mol
LogP8.69
Rot. Bonds8

About 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene

2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene (PubChem CID 139862828) has the molecular formula C30H40 and a molecular weight of 400.65 g/mol. Its IUPAC name is 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
PubChem CID139862828
Molecular FormulaC30H40
Molecular Weight400.65 g/mol
Exact Mass400.31
IUPAC Name2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene
SMILESC=CCCc1ccc2cc(CCC3CCC(C4CCC(C=C)CC4)CC3)ccc2c1
InChIInChI=1S/C30H40/c1-3-5-6-25-13-19-30-22-26(14-20-29(30)21-25)8-7-24-11-17-28(18-12-24)27-15-9-23(4-2)10-16-27/h3-4,13-14,19-24,27-28H,1-2,5-12,15-18H2
InChIKeyXVXXXZJDYFGDEU-UHFFFAOYSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.65
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
2-but-3-enyl-6-[2-(4-ethenylcyclohexyl)-1,2-difluoroethenyl]naphthalene
CID 139861561
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
1-[2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]ethyl]-4-chlorobenzene
CID 19380347
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139861903
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
2-but-3-enyl-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862382
1-but-3-enyl-4-[2-[4-(3,3-difluoro-4-propylcyclohexyl)cyclohexyl]ethyl]benzene
CID 130352097
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The IUPAC name of 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene (CID 139862828) is 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene.
What is the SMILES notation for 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The canonical SMILES for 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene is C=CCCc1ccc2cc(CCC3CCC(C4CCC(C=C)CC4)CC3)ccc2c1.
What is the InChIKey of 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene?
The InChIKey is XVXXXZJDYFGDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40/c1-3-5-6-25-13-19-30-22-26(14-20-29(30)21-25)8-7-24-11-17-28(18-12-24)27-15-9-23(4-2)10-16-27/h3-4,13-14,19-24,27-28H,1-2,5-12,15-18H2.
What are the key properties of 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene?
2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene has a molecular weight of 400.65 g/mol, XLogP of 8.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]naphthalene is sourced from PubChem (CID 139862828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).