(Z)-3-methyloct-2-ene

C9H18 — CID 22788054

IUPAC(Z)-3-methyloct-2-ene
SMILESC/C=C(/C)CCCCC
InChIInChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-
InChIKeyVOKPUAYTTWEUPZ-UITAMQMPSA-N
MW126.24 g/mol
LogP3.53
Rot. Bonds4

About (Z)-3-methyloct-2-ene

(Z)-3-methyloct-2-ene (PubChem CID 22788054) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is (Z)-3-methyloct-2-ene.

Molecular Properties

Compound Name(Z)-3-methyloct-2-ene
PubChem CID22788054
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name(Z)-3-methyloct-2-ene
SMILESC/C=C(/C)CCCCC
InChIInChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-
InChIKeyVOKPUAYTTWEUPZ-UITAMQMPSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyloct-2-ene?
The IUPAC name of (Z)-3-methyloct-2-ene (CID 22788054) is (Z)-3-methyloct-2-ene.
What is the SMILES notation for (Z)-3-methyloct-2-ene?
The canonical SMILES for (Z)-3-methyloct-2-ene is C/C=C(/C)CCCCC.
What is the InChIKey of (Z)-3-methyloct-2-ene?
The InChIKey is VOKPUAYTTWEUPZ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H18/c1-4-6-7-8-9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5-.
What are the key properties of (Z)-3-methyloct-2-ene?
(Z)-3-methyloct-2-ene has a molecular weight of 126.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyloct-2-ene is sourced from PubChem (CID 22788054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).