3,6,6-trimethylnon-4-ene

C12H24 — CID 123647444

IUPAC3,6,6-trimethylnon-4-ene
SMILESCCCC(C)(C)C=CC(C)CC
InChIInChI=1S/C12H24/c1-6-9-12(4,5)10-8-11(3)7-2/h8,10-11H,6-7,9H2,1-5H3
InChIKeyQIXXAKSPFBSYED-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds5

About 3,6,6-trimethylnon-4-ene

3,6,6-trimethylnon-4-ene (PubChem CID 123647444) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,6,6-trimethylnon-4-ene.

Molecular Properties

Compound Name3,6,6-trimethylnon-4-ene
PubChem CID123647444
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,6,6-trimethylnon-4-ene
SMILESCCCC(C)(C)C=CC(C)CC
InChIInChI=1S/C12H24/c1-6-9-12(4,5)10-8-11(3)7-2/h8,10-11H,6-7,9H2,1-5H3
InChIKeyQIXXAKSPFBSYED-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
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

(Z)-5,5-dimethyloct-3-en-2-amine
CID 167079853
(4E)-3,6-dimethylocta-1,4-dien-3-ol
CID 20526736
3,6-dimethyloct-4-ene
CID 73165576
2,2,6-trimethyloct-4-ene
CID 91281227
(E,3R)-2,3,6-trimethyloct-4-en-2-ol
CID 90299782
(2,5-dimethyl-2-propan-2-ylhept-3-enyl)cyclopropane
CID 123738609
trimethyl-[(E)-3-methylpent-1-enyl]silane
CID 14792795
3,5,5-trimethyloct-1-ene
CID 123557497
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
(Z)-5-methylhept-3-ene
CID 5364727
(E)-3-methylnon-4-ene
CID 13082837
(E)-5,5-dimethylhept-3-en-2-amine
CID 131248121

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethylnon-4-ene?
The IUPAC name of 3,6,6-trimethylnon-4-ene (CID 123647444) is 3,6,6-trimethylnon-4-ene.
What is the SMILES notation for 3,6,6-trimethylnon-4-ene?
The canonical SMILES for 3,6,6-trimethylnon-4-ene is CCCC(C)(C)C=CC(C)CC.
What is the InChIKey of 3,6,6-trimethylnon-4-ene?
The InChIKey is QIXXAKSPFBSYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-6-9-12(4,5)10-8-11(3)7-2/h8,10-11H,6-7,9H2,1-5H3.
What are the key properties of 3,6,6-trimethylnon-4-ene?
3,6,6-trimethylnon-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethylnon-4-ene is sourced from PubChem (CID 123647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).