2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

C31H38 — CID 139862535

IUPAC2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CC)ccc4c3)cc2)CC1
InChIInChI=1S/C31H38/c1-3-5-6-7-25-11-16-28(17-12-25)29-18-13-26(14-19-29)8-9-27-15-21-30-22-24(4-2)10-20-31(30)23-27/h6-7,10,13-15,18-23,25,28H,3-5,8-9,11-12,16-17H2,1-2H3/b7-6+
InChIKeyPGHXWYCHKAZACS-VOTSOKGWSA-N
MW410.65 g/mol
LogP8.82
Rot. Bonds8

About 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene

2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (PubChem CID 139862535) has the molecular formula C31H38 and a molecular weight of 410.65 g/mol. Its IUPAC name is 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
PubChem CID139862535
Molecular FormulaC31H38
Molecular Weight410.65 g/mol
Exact Mass410.30
IUPAC Name2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
SMILESCCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CC)ccc4c3)cc2)CC1
InChIInChI=1S/C31H38/c1-3-5-6-7-25-11-16-28(17-12-25)29-18-13-26(14-19-29)8-9-27-15-21-30-22-24(4-2)10-20-31(30)23-27/h6-7,10,13-15,18-23,25,28H,3-5,8-9,11-12,16-17H2,1-2H3/b7-6+
InChIKeyPGHXWYCHKAZACS-VOTSOKGWSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 58.82
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-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
2-ethyl-6-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139863616
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-pentylnaphthalene
CID 139864116
2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-pentylnaphthalene
CID 139861782
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
2-ethyl-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]naphthalene
CID 139860723
1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
4-[4-[(E)-pent-1-enyl]cyclohexyl]aniline
CID 18642462
1-(4-pent-1-enylcyclohexyl)-4-(propoxymethyl)benzene
CID 54131029
1-[4-[(E)-pent-1-enyl]cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 19899800
6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The IUPAC name of 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene (CID 139862535) is 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The canonical SMILES for 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is CCC/C=C/C1CCC(c2ccc(CCc3ccc4cc(CC)ccc4c3)cc2)CC1.
What is the InChIKey of 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
The InChIKey is PGHXWYCHKAZACS-VOTSOKGWSA-N. The full InChI is InChI=1S/C31H38/c1-3-5-6-7-25-11-16-28(17-12-25)29-18-13-26(14-19-29)8-9-27-15-21-30-22-24(4-2)10-20-31(30)23-27/h6-7,10,13-15,18-23,25,28H,3-5,8-9,11-12,16-17H2,1-2H3/b7-6+.
What are the key properties of 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene?
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene has a molecular weight of 410.65 g/mol, XLogP of 8.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene is sourced from PubChem (CID 139862535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).