(2S)-2-propylhexan-1-ol

C9H20O — CID 91864500

IUPAC(2S)-2-propylhexan-1-ol
SMILESCCCC[C@@H](CO)CCC
InChIInChI=1S/C9H20O/c1-3-5-7-9(8-10)6-4-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJSUXZEJWGVYJJG-VIFPVBQESA-N
MW144.26 g/mol
LogP2.59
Rot. Bonds6

About (2S)-2-propylhexan-1-ol

(2S)-2-propylhexan-1-ol (PubChem CID 91864500) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-2-propylhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-propylhexan-1-ol
PubChem CID91864500
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(2S)-2-propylhexan-1-ol
SMILESCCCC[C@@H](CO)CCC
InChIInChI=1S/C9H20O/c1-3-5-7-9(8-10)6-4-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJSUXZEJWGVYJJG-VIFPVBQESA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 7720
CID 7720
CID 7792
CID 7792
CID 7211
CID 7211
CID 18938
CID 18938
CID 19800
CID 19800
CID 15450
CID 15450
CID 21414
CID 21414
CID 102495
CID 102495
CID 17218
CID 17218
CID 123543
CID 123543
CID 62825
CID 62825
CID 7821
CID 7821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propylhexan-1-ol?
The IUPAC name of (2S)-2-propylhexan-1-ol (CID 91864500) is (2S)-2-propylhexan-1-ol.
What is the SMILES notation for (2S)-2-propylhexan-1-ol?
The canonical SMILES for (2S)-2-propylhexan-1-ol is CCCC[C@@H](CO)CCC.
What is the InChIKey of (2S)-2-propylhexan-1-ol?
The InChIKey is JSUXZEJWGVYJJG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O/c1-3-5-7-9(8-10)6-4-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-propylhexan-1-ol?
(2S)-2-propylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propylhexan-1-ol is sourced from PubChem (CID 91864500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).