(Z,3S)-1-chloro-3,7-dimethyloct-4-ene

C10H19Cl — CID 86736281

IUPAC(Z,3S)-1-chloro-3,7-dimethyloct-4-ene
SMILESCC(C)C/C=C\[C@@H](C)CCCl
InChIInChI=1S/C10H19Cl/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t10-/m1/s1
InChIKeyQTQMBIPZPBQPKD-AYYIZTPMSA-N
MW174.71 g/mol
LogP3.85
Rot. Bonds5

About (Z,3S)-1-chloro-3,7-dimethyloct-4-ene

(Z,3S)-1-chloro-3,7-dimethyloct-4-ene (PubChem CID 86736281) has the molecular formula C10H19Cl and a molecular weight of 174.71 g/mol. Its IUPAC name is (Z,3S)-1-chloro-3,7-dimethyloct-4-ene.

Molecular Properties

Compound Name(Z,3S)-1-chloro-3,7-dimethyloct-4-ene
PubChem CID86736281
Molecular FormulaC10H19Cl
Molecular Weight174.71 g/mol
Exact Mass174.12
IUPAC Name(Z,3S)-1-chloro-3,7-dimethyloct-4-ene
SMILESCC(C)C/C=C\[C@@H](C)CCCl
InChIInChI=1S/C10H19Cl/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t10-/m1/s1
InChIKeyQTQMBIPZPBQPKD-AYYIZTPMSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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,3S)-1-chloro-3,7-dimethyloct-4-ene?
The IUPAC name of (Z,3S)-1-chloro-3,7-dimethyloct-4-ene (CID 86736281) is (Z,3S)-1-chloro-3,7-dimethyloct-4-ene.
What is the SMILES notation for (Z,3S)-1-chloro-3,7-dimethyloct-4-ene?
The canonical SMILES for (Z,3S)-1-chloro-3,7-dimethyloct-4-ene is CC(C)C/C=C\[C@@H](C)CCCl.
What is the InChIKey of (Z,3S)-1-chloro-3,7-dimethyloct-4-ene?
The InChIKey is QTQMBIPZPBQPKD-AYYIZTPMSA-N. The full InChI is InChI=1S/C10H19Cl/c1-9(2)5-4-6-10(3)7-8-11/h4,6,9-10H,5,7-8H2,1-3H3/b6-4-/t10-/m1/s1.
What are the key properties of (Z,3S)-1-chloro-3,7-dimethyloct-4-ene?
(Z,3S)-1-chloro-3,7-dimethyloct-4-ene has a molecular weight of 174.71 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3S)-1-chloro-3,7-dimethyloct-4-ene is sourced from PubChem (CID 86736281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).