4,4,7-trimethyl-6-methylideneoct-1-ene

C12H22 — CID 59085404

IUPAC4,4,7-trimethyl-6-methylideneoct-1-ene
SMILESC=CCC(C)(C)CC(=C)C(C)C
InChIInChI=1S/C12H22/c1-7-8-12(5,6)9-11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3
InChIKeyVWECVSCVQMPQMY-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About 4,4,7-trimethyl-6-methylideneoct-1-ene

4,4,7-trimethyl-6-methylideneoct-1-ene (PubChem CID 59085404) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 4,4,7-trimethyl-6-methylideneoct-1-ene.

Molecular Properties

Compound Name4,4,7-trimethyl-6-methylideneoct-1-ene
PubChem CID59085404
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name4,4,7-trimethyl-6-methylideneoct-1-ene
SMILESC=CCC(C)(C)CC(=C)C(C)C
InChIInChI=1S/C12H22/c1-7-8-12(5,6)9-11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3
InChIKeyVWECVSCVQMPQMY-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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

2,4,4-trimethylhepta-1,6-diene
CID 15205594
methane;2,5,5-trimethyl-3,7-dimethylidenenonane
CID 160593852
3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
CID 143909189
3,6,6-trimethyl-4-methylidenehept-1-ene
CID 71395032
6-chloro-4,4-dimethylhept-1-ene
CID 64716425
3-amino-2-methylhex-5-en-3-ol
CID 87728442
ethane;ethenamine;2-methylpropane;N,3,3-trimethyl-N-propylhex-5-enamide
CID 143357551
4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
CID 174238580
5-hydroxy-2,4,4-trimethyl-5-prop-2-enyloct-7-en-3-one
CID 44720477
(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
CID 59910944
3,3-dimethylhex-5-en-2-amine
CID 130019272
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyl-6-methylideneoct-1-ene?
The IUPAC name of 4,4,7-trimethyl-6-methylideneoct-1-ene (CID 59085404) is 4,4,7-trimethyl-6-methylideneoct-1-ene.
What is the SMILES notation for 4,4,7-trimethyl-6-methylideneoct-1-ene?
The canonical SMILES for 4,4,7-trimethyl-6-methylideneoct-1-ene is C=CCC(C)(C)CC(=C)C(C)C.
What is the InChIKey of 4,4,7-trimethyl-6-methylideneoct-1-ene?
The InChIKey is VWECVSCVQMPQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-7-8-12(5,6)9-11(4)10(2)3/h7,10H,1,4,8-9H2,2-3,5-6H3.
What are the key properties of 4,4,7-trimethyl-6-methylideneoct-1-ene?
4,4,7-trimethyl-6-methylideneoct-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-6-methylideneoct-1-ene is sourced from PubChem (CID 59085404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).