m-Mentha-1(7),8-diene

C10H16 — CID 527272

IUPAC1-methylidene-3-prop-1-en-2-ylcyclohexane
SMILESCC(=C)C1CCCC(=C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h10H,1,3-7H2,2H3
InChIKeyIRKOFIFCPOQHKY-UHFFFAOYSA-N
MW136.23 g/mol
LogP3.60
Rot. Bonds1

About m-Mentha-1(7),8-diene

m-Mentha-1(7),8-diene (PubChem CID 527272) has the molecular formula C10H16 and a molecular weight of 136.23 g/mol. Its IUPAC name is 1-methylidene-3-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namem-Mentha-1(7),8-diene
PubChem CID527272
Molecular FormulaC10H16
Molecular Weight136.23 g/mol
Exact Mass136.13
IUPAC Name1-methylidene-3-prop-1-en-2-ylcyclohexane
SMILESCC(=C)C1CCCC(=C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h10H,1,3-7H2,2H3
InChIKeyIRKOFIFCPOQHKY-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity153

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.23
LogP ≤ 53.60
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

Beta-Bisabolene
CID 10104370
2,4-Dimethyl-1-heptene
CID 123385
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
Allylcyclohexane
CID 75027
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
(R)-beta-bisabolene
CID 68128
2,4-Dimethyl-1-hexene
CID 519301
1-Methyl-4-methylidenecyclohexane
CID 520363
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
Hexane, 3-methyl-4-methylene-
CID 103004
p-Menth-1(7)-ene
CID 517973

Frequently Asked Questions

What is the IUPAC name of m-Mentha-1(7),8-diene?
The IUPAC name of m-Mentha-1(7),8-diene (CID 527272) is 1-methylidene-3-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for m-Mentha-1(7),8-diene?
The canonical SMILES for m-Mentha-1(7),8-diene is CC(=C)C1CCCC(=C)C1.
What is the InChIKey of m-Mentha-1(7),8-diene?
The InChIKey is IRKOFIFCPOQHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h10H,1,3-7H2,2H3.
What are the key properties of m-Mentha-1(7),8-diene?
m-Mentha-1(7),8-diene has a molecular weight of 136.23 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for m-Mentha-1(7),8-diene is sourced from PubChem (CID 527272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).