3-methoxy-2-methylhexane

C8H18O — CID 23384964

IUPAC3-methoxy-2-methylhexane
SMILESCCCC(OC)C(C)C
InChIInChI=1S/C8H18O/c1-5-6-8(9-4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyOBOGODMIBRDRAZ-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds4

About 3-methoxy-2-methylhexane

3-methoxy-2-methylhexane (PubChem CID 23384964) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-methoxy-2-methylhexane.

Molecular Properties

Compound Name3-methoxy-2-methylhexane
PubChem CID23384964
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-methoxy-2-methylhexane
SMILESCCCC(OC)C(C)C
InChIInChI=1S/C8H18O/c1-5-6-8(9-4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKeyOBOGODMIBRDRAZ-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylhexane?
The IUPAC name of 3-methoxy-2-methylhexane (CID 23384964) is 3-methoxy-2-methylhexane.
What is the SMILES notation for 3-methoxy-2-methylhexane?
The canonical SMILES for 3-methoxy-2-methylhexane is CCCC(OC)C(C)C.
What is the InChIKey of 3-methoxy-2-methylhexane?
The InChIKey is OBOGODMIBRDRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-6-8(9-4)7(2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-2-methylhexane?
3-methoxy-2-methylhexane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylhexane is sourced from PubChem (CID 23384964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).