1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane

C13H20 — CID 556413

IUPAC1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane
SMILESC=CC1CCC(=C(C)C)CC1C=C
InChIInChI=1S/C13H20/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h5-6,11-12H,1-2,7-9H2,3-4H3
InChIKeyPGPQHRRQACLUGQ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.11
Rot. Bonds2

About 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane

1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane (PubChem CID 556413) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane.

Molecular Properties

Compound Name1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane
PubChem CID556413
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane
SMILESC=CC1CCC(=C(C)C)CC1C=C
InChIInChI=1S/C13H20/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h5-6,11-12H,1-2,7-9H2,3-4H3
InChIKeyPGPQHRRQACLUGQ-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.11
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

4-propan-2-ylidenecyclohexan-1-ol
CID 572084
1,2-bis(ethenyl)cyclohexane;ethane
CID 144683720
2-methyl-5-propan-2-ylidenecyclohexane-1-carboxylic acid
CID 69136768
(5R,6R)-5-ethenyl-6-methyloxan-2-one
CID 11320973
(2R)-2-methyl-5-propan-2-ylidenecyclohexan-1-one
CID 130738680
4-ethenyl-3-methyl-6-propan-2-ylidenecyclohexen-1-ol
CID 118580563
3-ethenyl-2-hydroxycyclohexan-1-one
CID 130031065
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
2-ethenylcyclopropan-1-ol
CID 54500145
1-(2-ethenylcyclopropyl)-2-methylprop-1-en-1-ol
CID 89289068
(3E)-1-ethenyl-3-ethylidenecyclopentane
CID 155632567
3-ethenyl-7-thiabicyclo[4.1.0]hept-1(6)-ene
CID 90108818

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane?
The IUPAC name of 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane (CID 556413) is 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane.
What is the SMILES notation for 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane?
The canonical SMILES for 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane is C=CC1CCC(=C(C)C)CC1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane?
The InChIKey is PGPQHRRQACLUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-11-7-8-13(10(3)4)9-12(11)6-2/h5-6,11-12H,1-2,7-9H2,3-4H3.
What are the key properties of 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane?
1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane has a molecular weight of 176.30 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-4-propan-2-ylidenecyclohexane is sourced from PubChem (CID 556413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).