(Z)-2-methyloct-3-ene;octane

C17H36 — CID 159051061

IUPAC(Z)-2-methyloct-3-ene;octane
SMILESCCCC/C=C\C(C)C.CCCCCCCC
InChIInChI=1S/C9H18.C8H18/c1-4-5-6-7-8-9(2)3;1-3-5-7-8-6-4-2/h7-9H,4-6H2,1-3H3;3-8H2,1-2H3/b8-7-;
InChIKeyJXGSCCROTPICQX-CFYXSCKTSA-N
MW240.47 g/mol
LogP6.76
Rot. Bonds9

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

(Z)-2-methyloct-3-ene;octane (PubChem CID 159051061) has the molecular formula C17H36 and a molecular weight of 240.47 g/mol. Its IUPAC name is (Z)-2-methyloct-3-ene;octane.

Molecular Properties

Compound Name(Z)-2-methyloct-3-ene;octane
PubChem CID159051061
Molecular FormulaC17H36
Molecular Weight240.47 g/mol
Exact Mass240.28
IUPAC Name(Z)-2-methyloct-3-ene;octane
SMILESCCCC/C=C\C(C)C.CCCCCCCC
InChIInChI=1S/C9H18.C8H18/c1-4-5-6-7-8-9(2)3;1-3-5-7-8-6-4-2/h7-9H,4-6H2,1-3H3;3-8H2,1-2H3/b8-7-;
InChIKeyJXGSCCROTPICQX-CFYXSCKTSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.47
LogP ≤ 56.76
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

2,11-dimethylhexadec-3-ene
CID 123962533
7-methylhexadec-5-ene
CID 150059561
2-methylhexadeca-3,5-diene
CID 140995829
undec-3-en-2-ol
CID 174515693
2-chlorodec-3-ene
CID 71337420
3-methyltetradec-4-ene
CID 123180851
nonadec-5-ene
CID 543596
docos-5-ene
CID 54227700
(E)-3-methylnon-4-ene
CID 13082837
5-methylpentadec-6-ene
CID 123440014
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyloct-3-ene;octane?
The IUPAC name of (Z)-2-methyloct-3-ene;octane (CID 159051061) is (Z)-2-methyloct-3-ene;octane.
What is the SMILES notation for (Z)-2-methyloct-3-ene;octane?
The canonical SMILES for (Z)-2-methyloct-3-ene;octane is CCCC/C=C\C(C)C.CCCCCCCC.
What is the InChIKey of (Z)-2-methyloct-3-ene;octane?
The InChIKey is JXGSCCROTPICQX-CFYXSCKTSA-N. The full InChI is InChI=1S/C9H18.C8H18/c1-4-5-6-7-8-9(2)3;1-3-5-7-8-6-4-2/h7-9H,4-6H2,1-3H3;3-8H2,1-2H3/b8-7-;.
What are the key properties of (Z)-2-methyloct-3-ene;octane?
(Z)-2-methyloct-3-ene;octane has a molecular weight of 240.47 g/mol, XLogP of 6.76, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyloct-3-ene;octane is sourced from PubChem (CID 159051061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).