[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene

C13H17Cl — CID 134965285

IUPAC[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene
SMILESCC(C)C[C@@H](/C=C\Cl)c1ccccc1
InChIInChI=1S/C13H17Cl/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8-/t13-/m1/s1
InChIKeyUSQGQTGIPIVIKD-LJTDUEICSA-N
MW208.73 g/mol
LogP4.57
Rot. Bonds4

About [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene

[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene (PubChem CID 134965285) has the molecular formula C13H17Cl and a molecular weight of 208.73 g/mol. Its IUPAC name is [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene.

Molecular Properties

Compound Name[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene
PubChem CID134965285
Molecular FormulaC13H17Cl
Molecular Weight208.73 g/mol
Exact Mass208.10
IUPAC Name[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene
SMILESCC(C)C[C@@H](/C=C\Cl)c1ccccc1
InChIInChI=1S/C13H17Cl/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8-/t13-/m1/s1
InChIKeyUSQGQTGIPIVIKD-LJTDUEICSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.73
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene?
The IUPAC name of [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene (CID 134965285) is [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene.
What is the SMILES notation for [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene?
The canonical SMILES for [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene is CC(C)C[C@@H](/C=C\Cl)c1ccccc1.
What is the InChIKey of [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene?
The InChIKey is USQGQTGIPIVIKD-LJTDUEICSA-N. The full InChI is InChI=1S/C13H17Cl/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3/b9-8-/t13-/m1/s1.
What are the key properties of [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene?
[(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene has a molecular weight of 208.73 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S)-1-chloro-5-methylhex-1-en-3-yl]benzene is sourced from PubChem (CID 134965285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).