10-chlorodecan-2-ol

C10H21ClO — CID 139625659

IUPAC10-chlorodecan-2-ol
SMILESCC(O)CCCCCCCCCl
InChIInChI=1S/C10H21ClO/c1-10(12)8-6-4-2-3-5-7-9-11/h10,12H,2-9H2,1H3
InChIKeyXNRQWVWRIDCIPP-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.34
Rot. Bonds8

About 10-chlorodecan-2-ol

10-chlorodecan-2-ol (PubChem CID 139625659) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 10-chlorodecan-2-ol.

Molecular Properties

Compound Name10-chlorodecan-2-ol
PubChem CID139625659
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name10-chlorodecan-2-ol
SMILESCC(O)CCCCCCCCCl
InChIInChI=1S/C10H21ClO/c1-10(12)8-6-4-2-3-5-7-9-11/h10,12H,2-9H2,1H3
InChIKeyXNRQWVWRIDCIPP-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-9-chlorononan-2-ol
CID 139766902
(2S)-5-chloropentan-2-ol
CID 12659782
heptane;heptan-2-ol
CID 157400640
(2S)-octadecan-2-ol
CID 25022019
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
henicosan-2-ol
CID 14151023
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
(2R)-8-fluorooctan-2-ol
CID 54347912

Frequently Asked Questions

What is the IUPAC name of 10-chlorodecan-2-ol?
The IUPAC name of 10-chlorodecan-2-ol (CID 139625659) is 10-chlorodecan-2-ol.
What is the SMILES notation for 10-chlorodecan-2-ol?
The canonical SMILES for 10-chlorodecan-2-ol is CC(O)CCCCCCCCCl.
What is the InChIKey of 10-chlorodecan-2-ol?
The InChIKey is XNRQWVWRIDCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-10(12)8-6-4-2-3-5-7-9-11/h10,12H,2-9H2,1H3.
What are the key properties of 10-chlorodecan-2-ol?
10-chlorodecan-2-ol has a molecular weight of 192.73 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chlorodecan-2-ol is sourced from PubChem (CID 139625659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).