1,1-bis(prop-1-en-2-yl)cyclohexane

C12H20 — CID 91030181

IUPAC1,1-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1(C(=C)C)CCCCC1
InChIInChI=1S/C12H20/c1-10(2)12(11(3)4)8-6-5-7-9-12/h1,3,5-9H2,2,4H3
InChIKeyKWQKRATZOQNYAL-UHFFFAOYSA-N
MW164.29 g/mol
LogP4.09
Rot. Bonds2

About 1,1-bis(prop-1-en-2-yl)cyclohexane

1,1-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 91030181) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,1-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(prop-1-en-2-yl)cyclohexane
PubChem CID91030181
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,1-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1(C(=C)C)CCCCC1
InChIInChI=1S/C12H20/c1-10(2)12(11(3)4)8-6-5-7-9-12/h1,3,5-9H2,2,4H3
InChIKeyKWQKRATZOQNYAL-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of 1,1-bis(prop-1-en-2-yl)cyclohexane (CID 91030181) is 1,1-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1,1-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for 1,1-bis(prop-1-en-2-yl)cyclohexane is C=C(C)C1(C(=C)C)CCCCC1.
What is the InChIKey of 1,1-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is KWQKRATZOQNYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)12(11(3)4)8-6-5-7-9-12/h1,3,5-9H2,2,4H3.
What are the key properties of 1,1-bis(prop-1-en-2-yl)cyclohexane?
1,1-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 164.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 91030181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).