3,6,7-trimethyldec-3-ene

C13H26 — CID 123818084

IUPAC3,6,7-trimethyldec-3-ene
SMILESCCCC(C)C(C)CC=C(C)CC
InChIInChI=1S/C13H26/c1-6-8-12(4)13(5)10-9-11(3)7-2/h9,12-13H,6-8,10H2,1-5H3
InChIKeyPNIRBRAMLTYDND-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds6

About 3,6,7-trimethyldec-3-ene

3,6,7-trimethyldec-3-ene (PubChem CID 123818084) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3,6,7-trimethyldec-3-ene.

Molecular Properties

Compound Name3,6,7-trimethyldec-3-ene
PubChem CID123818084
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3,6,7-trimethyldec-3-ene
SMILESCCCC(C)C(C)CC=C(C)CC
InChIInChI=1S/C13H26/c1-6-8-12(4)13(5)10-9-11(3)7-2/h9,12-13H,6-8,10H2,1-5H3
InChIKeyPNIRBRAMLTYDND-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

(E)-3,6,7-trimethyloct-3-ene
CID 167475963
(Z)-5-methylhept-4-en-2-amine
CID 143746463
2,5,9-trimethyl-8-propyldodec-5-ene
CID 123394193
7-bromo-3,6-dimethylhept-3-ene
CID 54367559
(E)-5-hydroxy-2,6-dimethylnon-2-enal
CID 87291633
(E)-3,5-dimethyloct-3-ene
CID 169006712
2,3,6-trimethylundec-5-ene
CID 123502967
(3R)-3,4-dimethylheptane
CID 59819300
2,2-dimethylpropane;(Z)-3-methylhex-3-ene;2-methylpropane
CID 170712386
(E)-2,5-dimethyloct-4-ene
CID 173056267
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
6,10-dimethyldodeca-5,9-dien-2-ol
CID 76600828

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyldec-3-ene?
The IUPAC name of 3,6,7-trimethyldec-3-ene (CID 123818084) is 3,6,7-trimethyldec-3-ene.
What is the SMILES notation for 3,6,7-trimethyldec-3-ene?
The canonical SMILES for 3,6,7-trimethyldec-3-ene is CCCC(C)C(C)CC=C(C)CC.
What is the InChIKey of 3,6,7-trimethyldec-3-ene?
The InChIKey is PNIRBRAMLTYDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-8-12(4)13(5)10-9-11(3)7-2/h9,12-13H,6-8,10H2,1-5H3.
What are the key properties of 3,6,7-trimethyldec-3-ene?
3,6,7-trimethyldec-3-ene has a molecular weight of 182.35 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyldec-3-ene is sourced from PubChem (CID 123818084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).