7-chloro-6-methylhept-6-en-3-one

C8H13ClO — CID 106439159

IUPAC7-chloro-6-methylhept-6-en-3-one
SMILESCCC(=O)CCC(C)=CCl
InChIInChI=1S/C8H13ClO/c1-3-8(10)5-4-7(2)6-9/h6H,3-5H2,1-2H3
InChIKeyLXGFXVXDSBRTAH-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.89
Rot. Bonds4

About 7-chloro-6-methylhept-6-en-3-one

7-chloro-6-methylhept-6-en-3-one (PubChem CID 106439159) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 7-chloro-6-methylhept-6-en-3-one.

Molecular Properties

Compound Name7-chloro-6-methylhept-6-en-3-one
PubChem CID106439159
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name7-chloro-6-methylhept-6-en-3-one
SMILESCCC(=O)CCC(C)=CCl
InChIInChI=1S/C8H13ClO/c1-3-8(10)5-4-7(2)6-9/h6H,3-5H2,1-2H3
InChIKeyLXGFXVXDSBRTAH-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methylhept-6-en-3-one?
The IUPAC name of 7-chloro-6-methylhept-6-en-3-one (CID 106439159) is 7-chloro-6-methylhept-6-en-3-one.
What is the SMILES notation for 7-chloro-6-methylhept-6-en-3-one?
The canonical SMILES for 7-chloro-6-methylhept-6-en-3-one is CCC(=O)CCC(C)=CCl.
What is the InChIKey of 7-chloro-6-methylhept-6-en-3-one?
The InChIKey is LXGFXVXDSBRTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO/c1-3-8(10)5-4-7(2)6-9/h6H,3-5H2,1-2H3.
What are the key properties of 7-chloro-6-methylhept-6-en-3-one?
7-chloro-6-methylhept-6-en-3-one has a molecular weight of 160.64 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methylhept-6-en-3-one is sourced from PubChem (CID 106439159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).