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

C15H26 — CID 58674060

IUPAC4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CCC(C(C)C)CC1C(=C)C
InChIInChI=1S/C15H26/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10,13-15H,3,5,7-9H2,1-2,4,6H3
InChIKeyKAQVFOAYDTWEMQ-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.83
Rot. Bonds3

About 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane

4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 58674060) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane
PubChem CID58674060
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CCC(C(C)C)CC1C(=C)C
InChIInChI=1S/C15H26/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10,13-15H,3,5,7-9H2,1-2,4,6H3
InChIKeyKAQVFOAYDTWEMQ-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.83
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

propan-2-ylcyclopropane;hydroiodide
CID 162314014
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021482
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
4-propan-2-ylcyclohexan-1-ol
CID 159817143
cis-(1S,5R)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 168820123
[(1R,3R)-3-propan-2-ylcyclopentyl]methanol
CID 59340916
2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
CID 79178837
methyl 2,5-di(propan-2-yl)cyclohexane-1-carboxylate
CID 168819317
(3S)-3-propan-2-ylcyclopentan-1-amine
CID 140882360
cis-(1S,3R)-1-iodo-3-propan-2-ylcyclopentane
CID 147316597
1-(3-propan-2-ylcyclopentyl)propan-2-one
CID 89323267

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane (CID 58674060) is 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane is C=C(C)C1CCC(C(C)C)CC1C(=C)C.
What is the InChIKey of 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is KAQVFOAYDTWEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10,13-15H,3,5,7-9H2,1-2,4,6H3.
What are the key properties of 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane?
4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 58674060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).