4-methoxy-2-methylheptan-3-ol

C9H20O2 — CID 116711593

IUPAC4-methoxy-2-methylheptan-3-ol
SMILESCCCC(OC)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-5-6-8(11-4)9(10)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyMSQYJIXPVIEDRD-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds5

About 4-methoxy-2-methylheptan-3-ol

4-methoxy-2-methylheptan-3-ol (PubChem CID 116711593) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-methoxy-2-methylheptan-3-ol.

Molecular Properties

Compound Name4-methoxy-2-methylheptan-3-ol
PubChem CID116711593
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name4-methoxy-2-methylheptan-3-ol
SMILESCCCC(OC)C(O)C(C)C
InChIInChI=1S/C9H20O2/c1-5-6-8(11-4)9(10)7(2)3/h7-10H,5-6H2,1-4H3
InChIKeyMSQYJIXPVIEDRD-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-2-methylhexan-3-ol
CID 116710715
3-methoxy-2-methylhexane
CID 23384964
4-methoxy-7-methyldecan-5-ol
CID 116711734
1,3-dimethoxyhexan-2-ol
CID 116711716
4-methoxynonan-5-ol
CID 116711594
3-methoxyheptan-4-ol
CID 54045994
5-methoxy-2-methyloct-1-en-4-ol
CID 116711758
2,4-dimethyloctane-3,5-diol
CID 164810304
2-methyl-3-methylperoxyhexane
CID 89198281
6-methoxy-2-methylnon-1-en-5-ol
CID 114474042
ethane;bis(1-methoxybutan-1-ol)
CID 144737274
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylheptan-3-ol?
The IUPAC name of 4-methoxy-2-methylheptan-3-ol (CID 116711593) is 4-methoxy-2-methylheptan-3-ol.
What is the SMILES notation for 4-methoxy-2-methylheptan-3-ol?
The canonical SMILES for 4-methoxy-2-methylheptan-3-ol is CCCC(OC)C(O)C(C)C.
What is the InChIKey of 4-methoxy-2-methylheptan-3-ol?
The InChIKey is MSQYJIXPVIEDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-6-8(11-4)9(10)7(2)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-2-methylheptan-3-ol?
4-methoxy-2-methylheptan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylheptan-3-ol is sourced from PubChem (CID 116711593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).