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

C9H17ClO — CID 18920898

IUPAC3-chloro-2,4-dimethylhept-6-en-1-ol
SMILESC=CCC(C)C(Cl)C(C)CO
InChIInChI=1S/C9H17ClO/c1-4-5-7(2)9(10)8(3)6-11/h4,7-9,11H,1,5-6H2,2-3H3
InChIKeyUTYICOILDMYPBC-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.43
Rot. Bonds5

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

3-chloro-2,4-dimethylhept-6-en-1-ol (PubChem CID 18920898) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 3-chloro-2,4-dimethylhept-6-en-1-ol.

Molecular Properties

Compound Name3-chloro-2,4-dimethylhept-6-en-1-ol
PubChem CID18920898
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name3-chloro-2,4-dimethylhept-6-en-1-ol
SMILESC=CCC(C)C(Cl)C(C)CO
InChIInChI=1S/C9H17ClO/c1-4-5-7(2)9(10)8(3)6-11/h4,7-9,11H,1,5-6H2,2-3H3
InChIKeyUTYICOILDMYPBC-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 52.43
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 3-chloro-2,4-dimethylhept-6-en-1-ol?
The IUPAC name of 3-chloro-2,4-dimethylhept-6-en-1-ol (CID 18920898) is 3-chloro-2,4-dimethylhept-6-en-1-ol.
What is the SMILES notation for 3-chloro-2,4-dimethylhept-6-en-1-ol?
The canonical SMILES for 3-chloro-2,4-dimethylhept-6-en-1-ol is C=CCC(C)C(Cl)C(C)CO.
What is the InChIKey of 3-chloro-2,4-dimethylhept-6-en-1-ol?
The InChIKey is UTYICOILDMYPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-4-5-7(2)9(10)8(3)6-11/h4,7-9,11H,1,5-6H2,2-3H3.
What are the key properties of 3-chloro-2,4-dimethylhept-6-en-1-ol?
3-chloro-2,4-dimethylhept-6-en-1-ol has a molecular weight of 176.69 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4-dimethylhept-6-en-1-ol is sourced from PubChem (CID 18920898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).