2,3,8-trimethyldec-3-ene

C13H26 — CID 123648225

IUPAC2,3,8-trimethyldec-3-ene
SMILESCCC(C)CCCC=C(C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(5)11(2)3/h10-12H,6-9H2,1-5H3
InChIKeyBJZXEJLYMNFNDC-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds6

About 2,3,8-trimethyldec-3-ene

2,3,8-trimethyldec-3-ene (PubChem CID 123648225) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 2,3,8-trimethyldec-3-ene.

Molecular Properties

Compound Name2,3,8-trimethyldec-3-ene
PubChem CID123648225
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name2,3,8-trimethyldec-3-ene
SMILESCCC(C)CCCC=C(C)C(C)C
InChIInChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(5)11(2)3/h10-12H,6-9H2,1-5H3
InChIKeyBJZXEJLYMNFNDC-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,11-dimethyltridec-6-ene
CID 91025564
alumane;5-methylheptanal
CID 175597367
2,7-dimethyldec-2-ene
CID 123304905
(3R,7R)-3,7-dimethylnonane
CID 42626759
8-methyldec-3-ene
CID 54115614
2,11-dimethyltridec-6-ene
CID 123657363
5-ethyl-3,11-dimethyltridec-5-ene
CID 123408628
6,7-dimethyloct-5-enoic acid
CID 162716838
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
ethane;3-methylheptane;propan-2-imine
CID 142132474
7,8-dimethyltridec-6-ene
CID 123214902

Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyldec-3-ene?
The IUPAC name of 2,3,8-trimethyldec-3-ene (CID 123648225) is 2,3,8-trimethyldec-3-ene.
What is the SMILES notation for 2,3,8-trimethyldec-3-ene?
The canonical SMILES for 2,3,8-trimethyldec-3-ene is CCC(C)CCCC=C(C)C(C)C.
What is the InChIKey of 2,3,8-trimethyldec-3-ene?
The InChIKey is BJZXEJLYMNFNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-12(4)9-7-8-10-13(5)11(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,3,8-trimethyldec-3-ene?
2,3,8-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 2,3,8-trimethyldec-3-ene is sourced from PubChem (CID 123648225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).