1-methoxy-2-methylnonan-4-ol

C11H24O2 — CID 105086152

IUPAC1-methoxy-2-methylnonan-4-ol
SMILESCCCCCC(O)CC(C)COC
InChIInChI=1S/C11H24O2/c1-4-5-6-7-11(12)8-10(2)9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyUWRUYUIMYISPPM-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds8

About 1-methoxy-2-methylnonan-4-ol

1-methoxy-2-methylnonan-4-ol (PubChem CID 105086152) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-methoxy-2-methylnonan-4-ol.

Molecular Properties

Compound Name1-methoxy-2-methylnonan-4-ol
PubChem CID105086152
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-methoxy-2-methylnonan-4-ol
SMILESCCCCCC(O)CC(C)COC
InChIInChI=1S/C11H24O2/c1-4-5-6-7-11(12)8-10(2)9-13-3/h10-12H,4-9H2,1-3H3
InChIKeyUWRUYUIMYISPPM-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-methyldecane
CID 13444249
3-methyltridecan-5-ol
CID 13025106
1-methoxy-2,12-dimethyldocosane
CID 91752253
2-methylundecane-1,4-diol
CID 149251762
(4S)-2-methylnonan-4-ol
CID 86308805
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
triacontane-6,8-diol
CID 85096450
hentriacontane-14,16-diol
CID 87514654
(5S,7R)-dodecane-5,7-diol
CID 12060471
(6S,8S)-heptacosane-6,8-diol
CID 10693038
2,2,4-trimethylundecan-6-ol
CID 115784414
11-methylnonadecan-7-ol
CID 87923390

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylnonan-4-ol?
The IUPAC name of 1-methoxy-2-methylnonan-4-ol (CID 105086152) is 1-methoxy-2-methylnonan-4-ol.
What is the SMILES notation for 1-methoxy-2-methylnonan-4-ol?
The canonical SMILES for 1-methoxy-2-methylnonan-4-ol is CCCCCC(O)CC(C)COC.
What is the InChIKey of 1-methoxy-2-methylnonan-4-ol?
The InChIKey is UWRUYUIMYISPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-5-6-7-11(12)8-10(2)9-13-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-2-methylnonan-4-ol?
1-methoxy-2-methylnonan-4-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylnonan-4-ol is sourced from PubChem (CID 105086152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).