1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene

C14H18 — CID 173425674

IUPAC1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
SMILESCC(C)=C1CCC=C(C2=CC=CC2)C1
InChIInChI=1S/C14H18/c1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12/h3-4,6,9H,5,7-8,10H2,1-2H3
InChIKeyPJQCIXSVBQYNLF-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.32
Rot. Bonds1

About 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene

1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene (PubChem CID 173425674) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
PubChem CID173425674
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene
SMILESCC(C)=C1CCC=C(C2=CC=CC2)C1
InChIInChI=1S/C14H18/c1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12/h3-4,6,9H,5,7-8,10H2,1-2H3
InChIKeyPJQCIXSVBQYNLF-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.32
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-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;methanetriol
CID 174485251
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;bis(2-methylprop-2-enoic acid)
CID 174976084
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hexa-1,4-diene
CID 174908546
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
3-propan-2-yl-1,2,3,5-tetrahydronaphthalene
CID 101316545
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 14336535
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;dibenzothiophene
CID 174827544
2,4-di(cyclopenta-1,3-dien-1-yl)-6-methyl-1,3,5-triazine
CID 170388285
1-[(2Z,4E)-4-(cyclobuten-1-yl)hexa-2,4-dien-2-yl]cyclopenta-1,3-diene
CID 163882415

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene (CID 173425674) is 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene is CC(C)=C1CCC=C(C2=CC=CC2)C1.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene?
The InChIKey is PJQCIXSVBQYNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-11(2)13-8-5-9-14(10-13)12-6-3-4-7-12/h3-4,6,9H,5,7-8,10H2,1-2H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene?
1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene has a molecular weight of 186.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-5-propan-2-ylidenecyclohexene is sourced from PubChem (CID 173425674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).