3-propoxyheptane

C10H22O — CID 91289422

IUPAC3-propoxyheptane
SMILESCCCCC(CC)OCCC
InChIInChI=1S/C10H22O/c1-4-7-8-10(6-3)11-9-5-2/h10H,4-9H2,1-3H3
InChIKeyWDLLPWFPNSIDOX-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds7

About 3-propoxyheptane

3-propoxyheptane (PubChem CID 91289422) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-propoxyheptane.

Molecular Properties

Compound Name3-propoxyheptane
PubChem CID91289422
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-propoxyheptane
SMILESCCCCC(CC)OCCC
InChIInChI=1S/C10H22O/c1-4-7-8-10(6-3)11-9-5-2/h10H,4-9H2,1-3H3
InChIKeyWDLLPWFPNSIDOX-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propoxyheptane 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-[2-[2-[2-(2-heptan-3-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 172858925
2-propoxy-1-(2-propoxyethoxy)hexane
CID 91395495
3,7-didodecoxydodecane
CID 123502949
1-(4-octoxyhexoxy)nonane
CID 173430678
3-(heptan-3-yloxymethyl)heptane
CID 90211738
3-(2,2-dimethylpropoxy)heptane
CID 91257292
5-butoxy-1-ethoxyheptane
CID 57247506
3-nonoxypentan-1-ol
CID 141114457
2-hexadecan-3-yloxyethyl(trimethyl)azanium chloride
CID 87446837
2-[2-[2-(2-decan-3-yloxyethoxy)ethoxy]ethoxy]ethanol
CID 176652980
1-pentan-3-yloxydecane
CID 173279604
2-(1-aminohexan-2-yloxy)ethanol
CID 103376898

Frequently Asked Questions

What is the IUPAC name of 3-propoxyheptane?
The IUPAC name of 3-propoxyheptane (CID 91289422) is 3-propoxyheptane.
What is the SMILES notation for 3-propoxyheptane?
The canonical SMILES for 3-propoxyheptane is CCCCC(CC)OCCC.
What is the InChIKey of 3-propoxyheptane?
The InChIKey is WDLLPWFPNSIDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-7-8-10(6-3)11-9-5-2/h10H,4-9H2,1-3H3.
What are the key properties of 3-propoxyheptane?
3-propoxyheptane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxyheptane is sourced from PubChem (CID 91289422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).