2-propoxypentan-1-ol

C8H18O2 — CID 140655109

IUPAC2-propoxypentan-1-ol
SMILESCCCOC(CO)CCC
InChIInChI=1S/C8H18O2/c1-3-5-8(7-9)10-6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyYEYIZNNWCXHXFX-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.57
Rot. Bonds6

About 2-propoxypentan-1-ol

2-propoxypentan-1-ol (PubChem CID 140655109) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-propoxypentan-1-ol.

Molecular Properties

Compound Name2-propoxypentan-1-ol
PubChem CID140655109
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2-propoxypentan-1-ol
SMILESCCCOC(CO)CCC
InChIInChI=1S/C8H18O2/c1-3-5-8(7-9)10-6-4-2/h8-9H,3-7H2,1-2H3
InChIKeyYEYIZNNWCXHXFX-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propoxypentan-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-(3-hydroxypropoxy)pentan-1-ol
CID 150485791
3-propoxyhexan-1-ol
CID 139839964
2-[2-(1-hydroxydecan-2-yloxy)ethoxy]decan-1-ol
CID 10022312
2-tetradecoxydecan-1-ol
CID 155667265
2-(1-hydroxypentan-2-yloxy)acetic acid
CID 91235022
2-dodecoxytridecan-1-ol
CID 23171962
3-propoxyhexane-1,2-diol
CID 90013661
5-(2-hydroxyethoxy)-2,2-bis(hydroxymethyl)hexane-1,6-diol
CID 20523698
2-(2-hydroxyethoxy)propane-1,3-diol
CID 19067848
2-hexadecoxypropane-1,3-diol
CID 12924931
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
N-methyl-2-(2-propoxyethoxy)pentan-1-amine
CID 83044907

Frequently Asked Questions

What is the IUPAC name of 2-propoxypentan-1-ol?
The IUPAC name of 2-propoxypentan-1-ol (CID 140655109) is 2-propoxypentan-1-ol.
What is the SMILES notation for 2-propoxypentan-1-ol?
The canonical SMILES for 2-propoxypentan-1-ol is CCCOC(CO)CCC.
What is the InChIKey of 2-propoxypentan-1-ol?
The InChIKey is YEYIZNNWCXHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-3-5-8(7-9)10-6-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-propoxypentan-1-ol?
2-propoxypentan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxypentan-1-ol is sourced from PubChem (CID 140655109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).