1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene

C18H26 — CID 101421845

IUPAC1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene
SMILESC1=CCC(C2(C3=CCCCCC3)CCCCC2)=C1
InChIInChI=1S/C18H26/c1-2-5-11-16(10-4-1)18(14-8-3-9-15-18)17-12-6-7-13-17/h6-7,10,12H,1-5,8-9,11,13-15H2
InChIKeyHHRWWCPJLYZRHW-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.71
Rot. Bonds2

About 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene

1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene (PubChem CID 101421845) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene
PubChem CID101421845
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene
SMILESC1=CCC(C2(C3=CCCCCC3)CCCCC2)=C1
InChIInChI=1S/C18H26/c1-2-5-11-16(10-4-1)18(14-8-3-9-15-18)17-12-6-7-13-17/h6-7,10,12H,1-5,8-9,11,13-15H2
InChIKeyHHRWWCPJLYZRHW-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.71
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

1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461
1-cyclopenta-1,3-dien-1-ylcyclohexan-1-ol
CID 12713605
1-(cycloocten-1-yl)-2-methylcyclohexan-1-ol
CID 106650767
[2-(cyclohexen-1-yl)oxan-2-yl]silane
CID 175455485
1-(1-ethylcyclopentyl)cyclopenta-1,3-diene
CID 159579103
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
1-(cyclohepten-1-yl)cyclohex-2-en-1-ol
CID 106651589
1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene
CID 91042772
6-(cyclopenten-1-yl)-6-methylcyclohepta-1,3-dien-1-amine
CID 163961063
3-(cycloocten-1-yl)-3-fluoropyrrolidine
CID 106655028

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene (CID 101421845) is 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene is C1=CCC(C2(C3=CCCCCC3)CCCCC2)=C1.
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene?
The InChIKey is HHRWWCPJLYZRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-2-5-11-16(10-4-1)18(14-8-3-9-15-18)17-12-6-7-13-17/h6-7,10,12H,1-5,8-9,11,13-15H2.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene?
1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene has a molecular weight of 242.41 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene is sourced from PubChem (CID 101421845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).