3,4,5-trimethyloct-1-ene

C11H22 — CID 123841596

IUPAC3,4,5-trimethyloct-1-ene
SMILESC=CC(C)C(C)C(C)CCC
InChIInChI=1S/C11H22/c1-6-8-10(4)11(5)9(3)7-2/h7,9-11H,2,6,8H2,1,3-5H3
InChIKeyYHHSXRMKRDRHQP-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds5

About 3,4,5-trimethyloct-1-ene

3,4,5-trimethyloct-1-ene (PubChem CID 123841596) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,4,5-trimethyloct-1-ene.

Molecular Properties

Compound Name3,4,5-trimethyloct-1-ene
PubChem CID123841596
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,4,5-trimethyloct-1-ene
SMILESC=CC(C)C(C)C(C)CCC
InChIInChI=1S/C11H22/c1-6-8-10(4)11(5)9(3)7-2/h7,9-11H,2,6,8H2,1,3-5H3
InChIKeyYHHSXRMKRDRHQP-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
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

4-ethenyl-2,3,5-trimethyloctane
CID 123741658
2,3,4-trimethyl-N-(2-methylbutyl)hex-5-en-1-amine
CID 154966914
2,3,4,5,6,7,8,9,10-nonamethyltridecane
CID 123419522
3-methyl-N-pentylpent-4-en-2-amine
CID 154998985
3,4-dimethylhexa-1,5-diene
CID 521244
ethane;5-methyloct-1-en-4-ol
CID 142059047
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
(3R,4R,5R)-4,5-dimethyloctan-3-amine
CID 151288694
(3R,4S,5R)-3,5-dimethyltridec-1-en-4-ol
CID 24854557
N,N-diethyl-3,4-dimethylheptan-2-amine
CID 90920485
4,5,6,7,8,9-hexamethyloctadecane
CID 123746260

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyloct-1-ene?
The IUPAC name of 3,4,5-trimethyloct-1-ene (CID 123841596) is 3,4,5-trimethyloct-1-ene.
What is the SMILES notation for 3,4,5-trimethyloct-1-ene?
The canonical SMILES for 3,4,5-trimethyloct-1-ene is C=CC(C)C(C)C(C)CCC.
What is the InChIKey of 3,4,5-trimethyloct-1-ene?
The InChIKey is YHHSXRMKRDRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-8-10(4)11(5)9(3)7-2/h7,9-11H,2,6,8H2,1,3-5H3.
What are the key properties of 3,4,5-trimethyloct-1-ene?
3,4,5-trimethyloct-1-ene has a molecular weight of 154.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyloct-1-ene is sourced from PubChem (CID 123841596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).