3-(ethoxymethyl)heptane

C10H22O — CID 21252455

IUPAC3-(ethoxymethyl)heptane
SMILESCCCCC(CC)COCC
InChIInChI=1S/C10H22O/c1-4-7-8-10(5-2)9-11-6-3/h10H,4-9H2,1-3H3
InChIKeyGUWMIMDSGCRWSR-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds7

About 3-(ethoxymethyl)heptane

3-(ethoxymethyl)heptane (PubChem CID 21252455) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-(ethoxymethyl)heptane.

Molecular Properties

Compound Name3-(ethoxymethyl)heptane
PubChem CID21252455
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-(ethoxymethyl)heptane
SMILESCCCCC(CC)COCC
InChIInChI=1S/C10H22O/c1-4-7-8-10(5-2)9-11-6-3/h10H,4-9H2,1-3H3
InChIKeyGUWMIMDSGCRWSR-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(ethoxymethyl)heptane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)heptane?
The IUPAC name of 3-(ethoxymethyl)heptane (CID 21252455) is 3-(ethoxymethyl)heptane.
What is the SMILES notation for 3-(ethoxymethyl)heptane?
The canonical SMILES for 3-(ethoxymethyl)heptane is CCCCC(CC)COCC.
What is the InChIKey of 3-(ethoxymethyl)heptane?
The InChIKey is GUWMIMDSGCRWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-4-7-8-10(5-2)9-11-6-3/h10H,4-9H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)heptane?
3-(ethoxymethyl)heptane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)heptane is sourced from PubChem (CID 21252455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).