4,7,7-trimethyldodec-3-ene

C15H30 — CID 123515373

IUPAC4,7,7-trimethyldodec-3-ene
SMILESCCC=C(C)CCC(C)(C)CCCCC
InChIInChI=1S/C15H30/c1-6-8-9-12-15(4,5)13-11-14(3)10-7-2/h10H,6-9,11-13H2,1-5H3
InChIKeyAMBLAYPBYSXABN-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.73
Rot. Bonds8

About 4,7,7-trimethyldodec-3-ene

4,7,7-trimethyldodec-3-ene (PubChem CID 123515373) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 4,7,7-trimethyldodec-3-ene.

Molecular Properties

Compound Name4,7,7-trimethyldodec-3-ene
PubChem CID123515373
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name4,7,7-trimethyldodec-3-ene
SMILESCCC=C(C)CCC(C)(C)CCCCC
InChIInChI=1S/C15H30/c1-6-8-9-12-15(4,5)13-11-14(3)10-7-2/h10H,6-9,11-13H2,1-5H3
InChIKeyAMBLAYPBYSXABN-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3,3-dimethyloctan-1-ol
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2,6,6-trimethyl-3-methylideneundecane
CID 123351712
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CID 123622091
3,7-dimethyldeca-2,7-diene
CID 173346067
4,4-dimethyltridecan-1-amine
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2,2-dimethyldecan-1-ol
CID 520069
decan-1-ol;8,8-dimethylundecan-1-ol
CID 162145912

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyldodec-3-ene?
The IUPAC name of 4,7,7-trimethyldodec-3-ene (CID 123515373) is 4,7,7-trimethyldodec-3-ene.
What is the SMILES notation for 4,7,7-trimethyldodec-3-ene?
The canonical SMILES for 4,7,7-trimethyldodec-3-ene is CCC=C(C)CCC(C)(C)CCCCC.
What is the InChIKey of 4,7,7-trimethyldodec-3-ene?
The InChIKey is AMBLAYPBYSXABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-6-8-9-12-15(4,5)13-11-14(3)10-7-2/h10H,6-9,11-13H2,1-5H3.
What are the key properties of 4,7,7-trimethyldodec-3-ene?
4,7,7-trimethyldodec-3-ene has a molecular weight of 210.40 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyldodec-3-ene is sourced from PubChem (CID 123515373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).