3-methylidene-5-propan-2-ylcyclohexene

C10H16 — CID 149039202

IUPAC3-methylidene-5-propan-2-ylcyclohexene
SMILESC=C1C=CCC(C(C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQHFVAERKUOCOFH-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.16
Rot. Bonds1

About 3-methylidene-5-propan-2-ylcyclohexene

3-methylidene-5-propan-2-ylcyclohexene (PubChem CID 149039202) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 3-methylidene-5-propan-2-ylcyclohexene.

Molecular Properties

Compound Name3-methylidene-5-propan-2-ylcyclohexene
PubChem CID149039202
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name3-methylidene-5-propan-2-ylcyclohexene
SMILESC=C1C=CCC(C(C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQHFVAERKUOCOFH-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-5-propan-2-ylcyclohexene?
The IUPAC name of 3-methylidene-5-propan-2-ylcyclohexene (CID 149039202) is 3-methylidene-5-propan-2-ylcyclohexene.
What is the SMILES notation for 3-methylidene-5-propan-2-ylcyclohexene?
The canonical SMILES for 3-methylidene-5-propan-2-ylcyclohexene is C=C1C=CCC(C(C)C)C1.
What is the InChIKey of 3-methylidene-5-propan-2-ylcyclohexene?
The InChIKey is QHFVAERKUOCOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of 3-methylidene-5-propan-2-ylcyclohexene?
3-methylidene-5-propan-2-ylcyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-5-propan-2-ylcyclohexene is sourced from PubChem (CID 149039202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).