4-chloro-3,6-dimethylhept-3-ene

C9H17Cl — CID 123341065

IUPAC4-chloro-3,6-dimethylhept-3-ene
SMILESCCC(C)=C(Cl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-5-8(4)9(10)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyMDHMVSRCXKHDIB-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.96
Rot. Bonds3

About 4-chloro-3,6-dimethylhept-3-ene

4-chloro-3,6-dimethylhept-3-ene (PubChem CID 123341065) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 4-chloro-3,6-dimethylhept-3-ene.

Molecular Properties

Compound Name4-chloro-3,6-dimethylhept-3-ene
PubChem CID123341065
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name4-chloro-3,6-dimethylhept-3-ene
SMILESCCC(C)=C(Cl)CC(C)C
InChIInChI=1S/C9H17Cl/c1-5-8(4)9(10)6-7(2)3/h7H,5-6H2,1-4H3
InChIKeyMDHMVSRCXKHDIB-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-dimethylhept-3-ene?
The IUPAC name of 4-chloro-3,6-dimethylhept-3-ene (CID 123341065) is 4-chloro-3,6-dimethylhept-3-ene.
What is the SMILES notation for 4-chloro-3,6-dimethylhept-3-ene?
The canonical SMILES for 4-chloro-3,6-dimethylhept-3-ene is CCC(C)=C(Cl)CC(C)C.
What is the InChIKey of 4-chloro-3,6-dimethylhept-3-ene?
The InChIKey is MDHMVSRCXKHDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-5-8(4)9(10)6-7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 4-chloro-3,6-dimethylhept-3-ene?
4-chloro-3,6-dimethylhept-3-ene has a molecular weight of 160.69 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-dimethylhept-3-ene is sourced from PubChem (CID 123341065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).