2,3,3-trimethylhex-1-ene

C9H18 — CID 530395

IUPAC2,3,3-trimethylhex-1-ene
SMILESC=C(C)C(C)(C)CCC
InChIInChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyFJJUXGUOHOVYPK-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds3

About 2,3,3-trimethylhex-1-ene

2,3,3-trimethylhex-1-ene (PubChem CID 530395) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2,3,3-trimethylhex-1-ene.

Molecular Properties

Compound Name2,3,3-trimethylhex-1-ene
PubChem CID530395
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2,3,3-trimethylhex-1-ene
SMILESC=C(C)C(C)(C)CCC
InChIInChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyFJJUXGUOHOVYPK-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.39
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-Trimethyl-1-pentene
CID 7868
2,4-Dimethyl-1-heptene
CID 123385
Heptane, 2,2,6,6-tetramethyl-4-methylene-
CID 67334
2,5-Dimethyl-1-hexene
CID 33451
2,4-Dimethyl-1-hexene
CID 519301
2-Methyl-3-methylenehexane
CID 528377
Hexane, 3-methyl-4-methylene-
CID 103004
2,4,4-Trimethyl-1-hexene
CID 142817
2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
2,3,3-Trimethyl-1-pentene
CID 11216
2,3-Dimethylhex-1-ene
CID 86061
1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
CID 138613

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylhex-1-ene?
The IUPAC name of 2,3,3-trimethylhex-1-ene (CID 530395) is 2,3,3-trimethylhex-1-ene.
What is the SMILES notation for 2,3,3-trimethylhex-1-ene?
The canonical SMILES for 2,3,3-trimethylhex-1-ene is C=C(C)C(C)(C)CCC.
What is the InChIKey of 2,3,3-trimethylhex-1-ene?
The InChIKey is FJJUXGUOHOVYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-6-7-9(4,5)8(2)3/h2,6-7H2,1,3-5H3.
What are the key properties of 2,3,3-trimethylhex-1-ene?
2,3,3-trimethylhex-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylhex-1-ene is sourced from PubChem (CID 530395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).