2,3-dichloro-2,4-dimethylhept-6-en-1-ol

C9H16Cl2O — CID 18921068

IUPAC2,3-dichloro-2,4-dimethylhept-6-en-1-ol
SMILESC=CCC(C)C(Cl)C(C)(Cl)CO
InChIInChI=1S/C9H16Cl2O/c1-4-5-7(2)8(10)9(3,11)6-12/h4,7-8,12H,1,5-6H2,2-3H3
InChIKeyMCDRZYDZLCBPFA-UHFFFAOYSA-N
MW211.13 g/mol
LogP2.80
Rot. Bonds5

About 2,3-dichloro-2,4-dimethylhept-6-en-1-ol

2,3-dichloro-2,4-dimethylhept-6-en-1-ol (PubChem CID 18921068) has the molecular formula C9H16Cl2O and a molecular weight of 211.13 g/mol. Its IUPAC name is 2,3-dichloro-2,4-dimethylhept-6-en-1-ol.

Molecular Properties

Compound Name2,3-dichloro-2,4-dimethylhept-6-en-1-ol
PubChem CID18921068
Molecular FormulaC9H16Cl2O
Molecular Weight211.13 g/mol
Exact Mass210.06
IUPAC Name2,3-dichloro-2,4-dimethylhept-6-en-1-ol
SMILESC=CCC(C)C(Cl)C(C)(Cl)CO
InChIInChI=1S/C9H16Cl2O/c1-4-5-7(2)8(10)9(3,11)6-12/h4,7-8,12H,1,5-6H2,2-3H3
InChIKeyMCDRZYDZLCBPFA-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3-dichloro-2,4-dimethylhept-6-en-1-ol?
The IUPAC name of 2,3-dichloro-2,4-dimethylhept-6-en-1-ol (CID 18921068) is 2,3-dichloro-2,4-dimethylhept-6-en-1-ol.
What is the SMILES notation for 2,3-dichloro-2,4-dimethylhept-6-en-1-ol?
The canonical SMILES for 2,3-dichloro-2,4-dimethylhept-6-en-1-ol is C=CCC(C)C(Cl)C(C)(Cl)CO.
What is the InChIKey of 2,3-dichloro-2,4-dimethylhept-6-en-1-ol?
The InChIKey is MCDRZYDZLCBPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16Cl2O/c1-4-5-7(2)8(10)9(3,11)6-12/h4,7-8,12H,1,5-6H2,2-3H3.
What are the key properties of 2,3-dichloro-2,4-dimethylhept-6-en-1-ol?
2,3-dichloro-2,4-dimethylhept-6-en-1-ol has a molecular weight of 211.13 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2,4-dimethylhept-6-en-1-ol is sourced from PubChem (CID 18921068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).