(2S)-8-chloro-2-methyloctan-1-ol

C9H19ClO — CID 139766830

IUPAC(2S)-8-chloro-2-methyloctan-1-ol
SMILESC[C@H](CO)CCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(8-11)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyFOYWCJYAGDAJID-VIFPVBQESA-N
MW178.70 g/mol
LogP2.80
Rot. Bonds7

About (2S)-8-chloro-2-methyloctan-1-ol

(2S)-8-chloro-2-methyloctan-1-ol (PubChem CID 139766830) has the molecular formula C9H19ClO and a molecular weight of 178.70 g/mol. Its IUPAC name is (2S)-8-chloro-2-methyloctan-1-ol.

Molecular Properties

Compound Name(2S)-8-chloro-2-methyloctan-1-ol
PubChem CID139766830
Molecular FormulaC9H19ClO
Molecular Weight178.70 g/mol
Exact Mass178.11
IUPAC Name(2S)-8-chloro-2-methyloctan-1-ol
SMILESC[C@H](CO)CCCCCCCl
InChIInChI=1S/C9H19ClO/c1-9(8-11)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3/t9-/m0/s1
InChIKeyFOYWCJYAGDAJID-VIFPVBQESA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.70
LogP ≤ 52.80
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

2,7-dimethyloctane-1,8-diol
CID 11008425
(3S)-7-chloro-3-methylheptan-1-ol
CID 139766847
1,8-dichloro-2-methyloctane
CID 154320293
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2-methylhexadecan-1-ol
CID 17218
(2R)-2-methyloctadecan-1-ol
CID 122453872
1,7-dichloro-3-methylheptane
CID 175072872
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
2,6-dimethyldodecan-1-ol
CID 14392571
1,7-dichloro-4-methylheptane
CID 175347315

Frequently Asked Questions

What is the IUPAC name of (2S)-8-chloro-2-methyloctan-1-ol?
The IUPAC name of (2S)-8-chloro-2-methyloctan-1-ol (CID 139766830) is (2S)-8-chloro-2-methyloctan-1-ol.
What is the SMILES notation for (2S)-8-chloro-2-methyloctan-1-ol?
The canonical SMILES for (2S)-8-chloro-2-methyloctan-1-ol is C[C@H](CO)CCCCCCCl.
What is the InChIKey of (2S)-8-chloro-2-methyloctan-1-ol?
The InChIKey is FOYWCJYAGDAJID-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19ClO/c1-9(8-11)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-8-chloro-2-methyloctan-1-ol?
(2S)-8-chloro-2-methyloctan-1-ol has a molecular weight of 178.70 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-chloro-2-methyloctan-1-ol is sourced from PubChem (CID 139766830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).