4,4-dimethyl-3-propylcyclohexene

C11H20 — CID 91487775

IUPAC4,4-dimethyl-3-propylcyclohexene
SMILESCCCC1C=CCCC1(C)C
InChIInChI=1S/C11H20/c1-4-7-10-8-5-6-9-11(10,2)3/h5,8,10H,4,6-7,9H2,1-3H3
InChIKeyCGKMCSICHDOJNQ-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds2

About 4,4-dimethyl-3-propylcyclohexene

4,4-dimethyl-3-propylcyclohexene (PubChem CID 91487775) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 4,4-dimethyl-3-propylcyclohexene.

Molecular Properties

Compound Name4,4-dimethyl-3-propylcyclohexene
PubChem CID91487775
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name4,4-dimethyl-3-propylcyclohexene
SMILESCCCC1C=CCCC1(C)C
InChIInChI=1S/C11H20/c1-4-7-10-8-5-6-9-11(10,2)3/h5,8,10H,4,6-7,9H2,1-3H3
InChIKeyCGKMCSICHDOJNQ-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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

1,2-dipropylcyclohex-3-en-1-ol
CID 101312173
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
2-(hydroxymethyl)-1-pentylcyclohex-3-ene-1-carbaldehyde
CID 157051958
(1S,2Z,6S)-6-ethyl-6-methylcyclooct-2-en-1-ol
CID 160751719
4-(6-methyl-7-bicyclo[4.1.0]hept-2-enyl)butan-2-one
CID 57469444
2-propylcyclohex-3-en-1-amine
CID 67951489
1-(6,6-dimethylcyclohex-2-en-1-yl)but-2-en-1-one
CID 57239950
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
8-ethyl-6-methylbicyclo[4.2.0]oct-2-en-7-one
CID 22150584
1,1,3-trimethyl-2-propylcyclopentane
CID 154529227
6-iodo-6-methylcyclohex-2-en-1-amine
CID 126606263
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 142858337

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-propylcyclohexene?
The IUPAC name of 4,4-dimethyl-3-propylcyclohexene (CID 91487775) is 4,4-dimethyl-3-propylcyclohexene.
What is the SMILES notation for 4,4-dimethyl-3-propylcyclohexene?
The canonical SMILES for 4,4-dimethyl-3-propylcyclohexene is CCCC1C=CCCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-propylcyclohexene?
The InChIKey is CGKMCSICHDOJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-7-10-8-5-6-9-11(10,2)3/h5,8,10H,4,6-7,9H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-propylcyclohexene?
4,4-dimethyl-3-propylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-propylcyclohexene is sourced from PubChem (CID 91487775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).