1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene

C18H24 — CID 59499033

IUPAC1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene
SMILESC=C1CC=C(c2ccc(CCCCC)cc2)CC1
InChIInChI=1S/C18H24/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h9-11,13-14H,2-8,12H2,1H3
InChIKeyCBXVEZATNVWDTF-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.54
Rot. Bonds5

About 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene

1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene (PubChem CID 59499033) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene.

Molecular Properties

Compound Name1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene
PubChem CID59499033
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene
SMILESC=C1CC=C(c2ccc(CCCCC)cc2)CC1
InChIInChI=1S/C18H24/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h9-11,13-14H,2-8,12H2,1H3
InChIKeyCBXVEZATNVWDTF-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
5-(4-pentylphenyl)-3H-furan-2-one
CID 158582286
1-(4-ethylcyclohexen-1-yl)-4-heptylbenzene
CID 54014860
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-(4-butylcyclohexen-1-yl)-4-hexylbenzene
CID 54268995
1-butyl-4-nonylbenzene
CID 59545302
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
CID 57470906
CID 57470906
1-methyl-4-octylbenzene
CID 11052746
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-pentadecyl-4-phenylbenzene
CID 57166115
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene?
The IUPAC name of 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene (CID 59499033) is 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene.
What is the SMILES notation for 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene?
The canonical SMILES for 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene is C=C1CC=C(c2ccc(CCCCC)cc2)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene?
The InChIKey is CBXVEZATNVWDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h9-11,13-14H,2-8,12H2,1H3.
What are the key properties of 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene?
1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexen-1-yl)-4-pentylbenzene is sourced from PubChem (CID 59499033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).