6-chloro-3,7-dimethyloct-7-en-1-ol

C10H19ClO — CID 14158831

IUPAC6-chloro-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(Cl)CCC(C)CCO
InChIInChI=1S/C10H19ClO/c1-8(2)10(11)5-4-9(3)6-7-12/h9-10,12H,1,4-7H2,2-3H3
InChIKeyVCRCEFSBDLQIOJ-UHFFFAOYSA-N
MW190.71 g/mol
LogP2.97
Rot. Bonds6

About 6-chloro-3,7-dimethyloct-7-en-1-ol

6-chloro-3,7-dimethyloct-7-en-1-ol (PubChem CID 14158831) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 6-chloro-3,7-dimethyloct-7-en-1-ol.

Molecular Properties

Compound Name6-chloro-3,7-dimethyloct-7-en-1-ol
PubChem CID14158831
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name6-chloro-3,7-dimethyloct-7-en-1-ol
SMILESC=C(C)C(Cl)CCC(C)CCO
InChIInChI=1S/C10H19ClO/c1-8(2)10(11)5-4-9(3)6-7-12/h9-10,12H,1,4-7H2,2-3H3
InChIKeyVCRCEFSBDLQIOJ-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 52.97
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 6-chloro-3,7-dimethyloct-7-en-1-ol?
The IUPAC name of 6-chloro-3,7-dimethyloct-7-en-1-ol (CID 14158831) is 6-chloro-3,7-dimethyloct-7-en-1-ol.
What is the SMILES notation for 6-chloro-3,7-dimethyloct-7-en-1-ol?
The canonical SMILES for 6-chloro-3,7-dimethyloct-7-en-1-ol is C=C(C)C(Cl)CCC(C)CCO.
What is the InChIKey of 6-chloro-3,7-dimethyloct-7-en-1-ol?
The InChIKey is VCRCEFSBDLQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-8(2)10(11)5-4-9(3)6-7-12/h9-10,12H,1,4-7H2,2-3H3.
What are the key properties of 6-chloro-3,7-dimethyloct-7-en-1-ol?
6-chloro-3,7-dimethyloct-7-en-1-ol has a molecular weight of 190.71 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,7-dimethyloct-7-en-1-ol is sourced from PubChem (CID 14158831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).