5-chloro-3,6-dimethylhept-6-en-1-ol

C9H17ClO — CID 134934523

IUPAC5-chloro-3,6-dimethylhept-6-en-1-ol
SMILESC=C(C)C(Cl)CC(C)CCO
InChIInChI=1S/C9H17ClO/c1-7(2)9(10)6-8(3)4-5-11/h8-9,11H,1,4-6H2,2-3H3
InChIKeyYNYPQNDAQMDXOL-UHFFFAOYSA-N
MW176.69 g/mol
LogP2.58
Rot. Bonds5

About 5-chloro-3,6-dimethylhept-6-en-1-ol

5-chloro-3,6-dimethylhept-6-en-1-ol (PubChem CID 134934523) has the molecular formula C9H17ClO and a molecular weight of 176.69 g/mol. Its IUPAC name is 5-chloro-3,6-dimethylhept-6-en-1-ol.

Molecular Properties

Compound Name5-chloro-3,6-dimethylhept-6-en-1-ol
PubChem CID134934523
Molecular FormulaC9H17ClO
Molecular Weight176.69 g/mol
Exact Mass176.10
IUPAC Name5-chloro-3,6-dimethylhept-6-en-1-ol
SMILESC=C(C)C(Cl)CC(C)CCO
InChIInChI=1S/C9H17ClO/c1-7(2)9(10)6-8(3)4-5-11/h8-9,11H,1,4-6H2,2-3H3
InChIKeyYNYPQNDAQMDXOL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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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Related Compounds

5-Ethyl-3-methylhex-5-enol
CID 129630321
3-(Chloromethyl)-1-cyclohexylbut-3-en-1-ol
CID 11030900
1-Chloro-6-methyl-5-methylideneheptan-2-ol
CID 85987832
(2S,3S)-2-chloro-3,7-dimethyloct-6-en-1-ol
CID 124706434
(2S)-1-chloro-6-methyl-5-methylideneheptan-2-ol
CID 134896102
6-Chloro-3,7-dimethyloct-7-EN-1-OL
CID 14158831
3-Chloro-2,4-dimethylhept-6-en-1-ol
CID 18920898
3-(1-Chloroprop-2-enyl)heptan-1-ol
CID 54501797
1(S)-(2-chloro-1(S)-hydroxy-ethyl)-3(R)-methyl-hept-6-enyl hydrochloride
CID 86637159
4-Methyl-5-methylideneheptan-1-ol
CID 87337619
(2S,5S)-1-chloro-5-methylnon-8-en-2-ol;hydrochloride
CID 87492673
6-Chloro-5-ethylundec-1-en-4-ol
CID 88239087

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethylhept-6-en-1-ol?
The IUPAC name of 5-chloro-3,6-dimethylhept-6-en-1-ol (CID 134934523) is 5-chloro-3,6-dimethylhept-6-en-1-ol.
What is the SMILES notation for 5-chloro-3,6-dimethylhept-6-en-1-ol?
The canonical SMILES for 5-chloro-3,6-dimethylhept-6-en-1-ol is C=C(C)C(Cl)CC(C)CCO.
What is the InChIKey of 5-chloro-3,6-dimethylhept-6-en-1-ol?
The InChIKey is YNYPQNDAQMDXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO/c1-7(2)9(10)6-8(3)4-5-11/h8-9,11H,1,4-6H2,2-3H3.
What are the key properties of 5-chloro-3,6-dimethylhept-6-en-1-ol?
5-chloro-3,6-dimethylhept-6-en-1-ol has a molecular weight of 176.69 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethylhept-6-en-1-ol is sourced from PubChem (CID 134934523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).