(Z)-2,3,4-trimethylhex-3-ene

C9H18 — CID 59821401

IUPAC(Z)-2,3,4-trimethylhex-3-ene
SMILESCC/C(C)=C(/C)C(C)C
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7H,6H2,1-5H3/b9-8-
InChIKeyHUTMJYMKXJVQOH-HJWRWDBZSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds2

About (Z)-2,3,4-trimethylhex-3-ene

(Z)-2,3,4-trimethylhex-3-ene (PubChem CID 59821401) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (Z)-2,3,4-trimethylhex-3-ene.

Molecular Properties

Compound Name(Z)-2,3,4-trimethylhex-3-ene
PubChem CID59821401
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(Z)-2,3,4-trimethylhex-3-ene
SMILESCC/C(C)=C(/C)C(C)C
InChIInChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7H,6H2,1-5H3/b9-8-
InChIKeyHUTMJYMKXJVQOH-HJWRWDBZSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3,4-trimethylhex-3-ene?
The IUPAC name of (Z)-2,3,4-trimethylhex-3-ene (CID 59821401) is (Z)-2,3,4-trimethylhex-3-ene.
What is the SMILES notation for (Z)-2,3,4-trimethylhex-3-ene?
The canonical SMILES for (Z)-2,3,4-trimethylhex-3-ene is CC/C(C)=C(/C)C(C)C.
What is the InChIKey of (Z)-2,3,4-trimethylhex-3-ene?
The InChIKey is HUTMJYMKXJVQOH-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H18/c1-6-8(4)9(5)7(2)3/h7H,6H2,1-5H3/b9-8-.
What are the key properties of (Z)-2,3,4-trimethylhex-3-ene?
(Z)-2,3,4-trimethylhex-3-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3,4-trimethylhex-3-ene is sourced from PubChem (CID 59821401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).