1-methyl-5-propan-2-ylidenecyclohexene

C10H16 — CID 11040762

IUPAC1-methyl-5-propan-2-ylidenecyclohexene
SMILESCC1=CCCC(=C(C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3
InChIKeyWPOQYXKDKVBMSB-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds

About 1-methyl-5-propan-2-ylidenecyclohexene

1-methyl-5-propan-2-ylidenecyclohexene (PubChem CID 11040762) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylidenecyclohexene.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylidenecyclohexene
PubChem CID11040762
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-methyl-5-propan-2-ylidenecyclohexene
SMILESCC1=CCCC(=C(C)C)C1
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3
InChIKeyWPOQYXKDKVBMSB-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
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-methyl-5-propan-2-ylidenecyclohexene?
The IUPAC name of 1-methyl-5-propan-2-ylidenecyclohexene (CID 11040762) is 1-methyl-5-propan-2-ylidenecyclohexene.
What is the SMILES notation for 1-methyl-5-propan-2-ylidenecyclohexene?
The canonical SMILES for 1-methyl-5-propan-2-ylidenecyclohexene is CC1=CCCC(=C(C)C)C1.
What is the InChIKey of 1-methyl-5-propan-2-ylidenecyclohexene?
The InChIKey is WPOQYXKDKVBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5H,4,6-7H2,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylidenecyclohexene?
1-methyl-5-propan-2-ylidenecyclohexene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylidenecyclohexene is sourced from PubChem (CID 11040762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).