3-methoxy-4-methylheptane

C9H20O — CID 89207464

IUPAC3-methoxy-4-methylheptane
SMILESCCCC(C)C(CC)OC
InChIInChI=1S/C9H20O/c1-5-7-8(3)9(6-2)10-4/h8-9H,5-7H2,1-4H3
InChIKeyZQNMHIOHDFWPBL-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds5

About 3-methoxy-4-methylheptane

3-methoxy-4-methylheptane (PubChem CID 89207464) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-methoxy-4-methylheptane.

Molecular Properties

Compound Name3-methoxy-4-methylheptane
PubChem CID89207464
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3-methoxy-4-methylheptane
SMILESCCCC(C)C(CC)OC
InChIInChI=1S/C9H20O/c1-5-7-8(3)9(6-2)10-4/h8-9H,5-7H2,1-4H3
InChIKeyZQNMHIOHDFWPBL-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methylheptane?
The IUPAC name of 3-methoxy-4-methylheptane (CID 89207464) is 3-methoxy-4-methylheptane.
What is the SMILES notation for 3-methoxy-4-methylheptane?
The canonical SMILES for 3-methoxy-4-methylheptane is CCCC(C)C(CC)OC.
What is the InChIKey of 3-methoxy-4-methylheptane?
The InChIKey is ZQNMHIOHDFWPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-7-8(3)9(6-2)10-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-methoxy-4-methylheptane?
3-methoxy-4-methylheptane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methylheptane is sourced from PubChem (CID 89207464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).