(Z)-1-chloro-7-methyloct-2-ene

C9H17Cl — CID 10931737

IUPAC(Z)-1-chloro-7-methyloct-2-ene
SMILESCC(C)CCC/C=C\CCl
InChIInChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyPHHMGUBUVNBTGD-XQRVVYSFSA-N
MW160.69 g/mol
LogP3.61
Rot. Bonds5

About (Z)-1-chloro-7-methyloct-2-ene

(Z)-1-chloro-7-methyloct-2-ene (PubChem CID 10931737) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (Z)-1-chloro-7-methyloct-2-ene.

Molecular Properties

Compound Name(Z)-1-chloro-7-methyloct-2-ene
PubChem CID10931737
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(Z)-1-chloro-7-methyloct-2-ene
SMILESCC(C)CCC/C=C\CCl
InChIInChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-
InChIKeyPHHMGUBUVNBTGD-XQRVVYSFSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.61
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 (Z)-1-chloro-7-methyloct-2-ene?
The IUPAC name of (Z)-1-chloro-7-methyloct-2-ene (CID 10931737) is (Z)-1-chloro-7-methyloct-2-ene.
What is the SMILES notation for (Z)-1-chloro-7-methyloct-2-ene?
The canonical SMILES for (Z)-1-chloro-7-methyloct-2-ene is CC(C)CCC/C=C\CCl.
What is the InChIKey of (Z)-1-chloro-7-methyloct-2-ene?
The InChIKey is PHHMGUBUVNBTGD-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H17Cl/c1-9(2)7-5-3-4-6-8-10/h4,6,9H,3,5,7-8H2,1-2H3/b6-4-.
What are the key properties of (Z)-1-chloro-7-methyloct-2-ene?
(Z)-1-chloro-7-methyloct-2-ene has a molecular weight of 160.69 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-7-methyloct-2-ene is sourced from PubChem (CID 10931737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).