3-methoxy-2-methylundecan-4-ol

C13H28O2 — CID 116711927

IUPAC3-methoxy-2-methylundecan-4-ol
SMILESCCCCCCCC(O)C(OC)C(C)C
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)13(15-4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyMPAZZIPWKWVXKU-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.38
Rot. Bonds9

About 3-methoxy-2-methylundecan-4-ol

3-methoxy-2-methylundecan-4-ol (PubChem CID 116711927) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3-methoxy-2-methylundecan-4-ol.

Molecular Properties

Compound Name3-methoxy-2-methylundecan-4-ol
PubChem CID116711927
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3-methoxy-2-methylundecan-4-ol
SMILESCCCCCCCC(O)C(OC)C(C)C
InChIInChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)13(15-4)11(2)3/h11-14H,5-10H2,1-4H3
InChIKeyMPAZZIPWKWVXKU-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.38
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

3-methoxydodecan-4-ol
CID 116710713
nonacosane-14,15-diol
CID 91509633
methane;2-methylnonadecan-3-ol;propan-2-ol
CID 160801493
2-methyldodecane-3,4-diol
CID 103456553
2,3-dimethylundecan-4-ol
CID 115783082
(2R,3R)-1,1-dimethoxydecane-2,3-diol
CID 121009247
(2S,3R)-3-hydroxy-2-methyldecanenitrile
CID 50900060
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
methoxymethane;tridecane-1,1-diol
CID 18004105
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R)-3-methoxyheptane-2,4-diol
CID 10012212

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methylundecan-4-ol?
The IUPAC name of 3-methoxy-2-methylundecan-4-ol (CID 116711927) is 3-methoxy-2-methylundecan-4-ol.
What is the SMILES notation for 3-methoxy-2-methylundecan-4-ol?
The canonical SMILES for 3-methoxy-2-methylundecan-4-ol is CCCCCCCC(O)C(OC)C(C)C.
What is the InChIKey of 3-methoxy-2-methylundecan-4-ol?
The InChIKey is MPAZZIPWKWVXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-6-7-8-9-10-12(14)13(15-4)11(2)3/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-2-methylundecan-4-ol?
3-methoxy-2-methylundecan-4-ol has a molecular weight of 216.36 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methylundecan-4-ol is sourced from PubChem (CID 116711927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).