5-methylhexa-1,5-dien-2-ylcyclohexane

C13H22 — CID 123720137

IUPAC5-methylhexa-1,5-dien-2-ylcyclohexane
SMILESC=C(C)CCC(=C)C1CCCCC1
InChIInChI=1S/C13H22/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3
InChIKeyKHTKVDXCPGJTKD-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.48
Rot. Bonds4

About 5-methylhexa-1,5-dien-2-ylcyclohexane

5-methylhexa-1,5-dien-2-ylcyclohexane (PubChem CID 123720137) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 5-methylhexa-1,5-dien-2-ylcyclohexane.

Molecular Properties

Compound Name5-methylhexa-1,5-dien-2-ylcyclohexane
PubChem CID123720137
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name5-methylhexa-1,5-dien-2-ylcyclohexane
SMILESC=C(C)CCC(=C)C1CCCCC1
InChIInChI=1S/C13H22/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3
InChIKeyKHTKVDXCPGJTKD-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.48
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

[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
CID 89170399
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
5-cyclohexylhex-1-en-2-ylcyclohexane
CID 57058746
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
3-bromoprop-1-en-2-ylcyclopentane
CID 66872337
3-methylbuta-1,3-dien-2-ylcyclohexane
CID 123355728
4-methylpenta-1,3-dien-2-ylcyclohexane
CID 145299329
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
5-isocyanatopent-1-en-2-ylcyclohexane
CID 101481102
2-methylprop-2-enyl cyclohexanecarboxylate
CID 18622419
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848

Frequently Asked Questions

What is the IUPAC name of 5-methylhexa-1,5-dien-2-ylcyclohexane?
The IUPAC name of 5-methylhexa-1,5-dien-2-ylcyclohexane (CID 123720137) is 5-methylhexa-1,5-dien-2-ylcyclohexane.
What is the SMILES notation for 5-methylhexa-1,5-dien-2-ylcyclohexane?
The canonical SMILES for 5-methylhexa-1,5-dien-2-ylcyclohexane is C=C(C)CCC(=C)C1CCCCC1.
What is the InChIKey of 5-methylhexa-1,5-dien-2-ylcyclohexane?
The InChIKey is KHTKVDXCPGJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h13H,1,3-10H2,2H3.
What are the key properties of 5-methylhexa-1,5-dien-2-ylcyclohexane?
5-methylhexa-1,5-dien-2-ylcyclohexane has a molecular weight of 178.32 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhexa-1,5-dien-2-ylcyclohexane is sourced from PubChem (CID 123720137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).