(E)-6-chloro-4,6-dimethylhept-2-ene

C9H17Cl — CID 13291547

IUPAC(E)-6-chloro-4,6-dimethylhept-2-ene
SMILESC/C=C/C(C)CC(C)(C)Cl
InChIInChI=1S/C9H17Cl/c1-5-6-8(2)7-9(3,4)10/h5-6,8H,7H2,1-4H3/b6-5+
InChIKeyKHWYBCFSFAXCDS-AATRIKPKSA-N
MW160.69 g/mol
LogP3.61
Rot. Bonds3

About (E)-6-chloro-4,6-dimethylhept-2-ene

(E)-6-chloro-4,6-dimethylhept-2-ene (PubChem CID 13291547) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (E)-6-chloro-4,6-dimethylhept-2-ene.

Molecular Properties

Compound Name(E)-6-chloro-4,6-dimethylhept-2-ene
PubChem CID13291547
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(E)-6-chloro-4,6-dimethylhept-2-ene
SMILESC/C=C/C(C)CC(C)(C)Cl
InChIInChI=1S/C9H17Cl/c1-5-6-8(2)7-9(3,4)10/h5-6,8H,7H2,1-4H3/b6-5+
InChIKeyKHWYBCFSFAXCDS-AATRIKPKSA-N
XLogP3.61
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 ≤ 53.61
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 (E)-6-chloro-4,6-dimethylhept-2-ene?
The IUPAC name of (E)-6-chloro-4,6-dimethylhept-2-ene (CID 13291547) is (E)-6-chloro-4,6-dimethylhept-2-ene.
What is the SMILES notation for (E)-6-chloro-4,6-dimethylhept-2-ene?
The canonical SMILES for (E)-6-chloro-4,6-dimethylhept-2-ene is C/C=C/C(C)CC(C)(C)Cl.
What is the InChIKey of (E)-6-chloro-4,6-dimethylhept-2-ene?
The InChIKey is KHWYBCFSFAXCDS-AATRIKPKSA-N. The full InChI is InChI=1S/C9H17Cl/c1-5-6-8(2)7-9(3,4)10/h5-6,8H,7H2,1-4H3/b6-5+.
What are the key properties of (E)-6-chloro-4,6-dimethylhept-2-ene?
(E)-6-chloro-4,6-dimethylhept-2-ene has a molecular weight of 160.69 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-4,6-dimethylhept-2-ene is sourced from PubChem (CID 13291547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).