(7S)-7-chlorooctan-1-ol

C8H17ClO — CID 139766875

IUPAC(7S)-7-chlorooctan-1-ol
SMILESC[C@H](Cl)CCCCCCO
InChIInChI=1S/C8H17ClO/c1-8(9)6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQZCDUJWYHBAZLX-QMMMGPOBSA-N
MW164.68 g/mol
LogP2.56
Rot. Bonds6

About (7S)-7-chlorooctan-1-ol

(7S)-7-chlorooctan-1-ol (PubChem CID 139766875) has the molecular formula C8H17ClO and a molecular weight of 164.68 g/mol. Its IUPAC name is (7S)-7-chlorooctan-1-ol.

Molecular Properties

Compound Name(7S)-7-chlorooctan-1-ol
PubChem CID139766875
Molecular FormulaC8H17ClO
Molecular Weight164.68 g/mol
Exact Mass164.10
IUPAC Name(7S)-7-chlorooctan-1-ol
SMILESC[C@H](Cl)CCCCCCO
InChIInChI=1S/C8H17ClO/c1-8(9)6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyQZCDUJWYHBAZLX-QMMMGPOBSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.68
LogP ≤ 52.56
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'}

Analyze (7S)-7-chlorooctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-9-methyldecane
CID 174557182
(10S)-undecane-1,10-diol
CID 129382222
alumane;6-methylheptan-1-ol
CID 174615736
CID 172760633
CID 172760633
16-methylheptadecan-1-ol;titanium
CID 151630620
8,12-dimethylicosane-1,20-diol
CID 170848864
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
5-chlorononane-1,9-diol
CID 87402424
sodium;hydride;8-methylnonan-1-ol
CID 175362951
9-bromodecan-1-ol
CID 18177035
azane;2-chloropentadecane
CID 88746937

Frequently Asked Questions

What is the IUPAC name of (7S)-7-chlorooctan-1-ol?
The IUPAC name of (7S)-7-chlorooctan-1-ol (CID 139766875) is (7S)-7-chlorooctan-1-ol.
What is the SMILES notation for (7S)-7-chlorooctan-1-ol?
The canonical SMILES for (7S)-7-chlorooctan-1-ol is C[C@H](Cl)CCCCCCO.
What is the InChIKey of (7S)-7-chlorooctan-1-ol?
The InChIKey is QZCDUJWYHBAZLX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17ClO/c1-8(9)6-4-2-3-5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (7S)-7-chlorooctan-1-ol?
(7S)-7-chlorooctan-1-ol has a molecular weight of 164.68 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-chlorooctan-1-ol is sourced from PubChem (CID 139766875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).