8-chloro-2-methyloct-1-ene

C9H17Cl — CID 24721692

IUPAC8-chloro-2-methyloct-1-ene
SMILESC=C(C)CCCCCCCl
InChIInChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h1,3-8H2,2H3
InChIKeyWPPNRBVXACSCEG-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.75
Rot. Bonds6

About 8-chloro-2-methyloct-1-ene

8-chloro-2-methyloct-1-ene (PubChem CID 24721692) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 8-chloro-2-methyloct-1-ene.

Molecular Properties

Compound Name8-chloro-2-methyloct-1-ene
PubChem CID24721692
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name8-chloro-2-methyloct-1-ene
SMILESC=C(C)CCCCCCCl
InChIInChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h1,3-8H2,2H3
InChIKeyWPPNRBVXACSCEG-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyloct-1-ene?
The IUPAC name of 8-chloro-2-methyloct-1-ene (CID 24721692) is 8-chloro-2-methyloct-1-ene.
What is the SMILES notation for 8-chloro-2-methyloct-1-ene?
The canonical SMILES for 8-chloro-2-methyloct-1-ene is C=C(C)CCCCCCCl.
What is the InChIKey of 8-chloro-2-methyloct-1-ene?
The InChIKey is WPPNRBVXACSCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h1,3-8H2,2H3.
What are the key properties of 8-chloro-2-methyloct-1-ene?
8-chloro-2-methyloct-1-ene has a molecular weight of 160.69 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyloct-1-ene is sourced from PubChem (CID 24721692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).