(4S)-4-methoxyundecan-1-ol

C12H26O2 — CID 53329455

IUPAC(4S)-4-methoxyundecan-1-ol
SMILESCCCCCCC[C@@H](CCCO)OC
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-9-12(14-2)10-8-11-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeySPXQUPPKYDLATH-LBPRGKRZSA-N
MW202.34 g/mol
LogP3.13
Rot. Bonds10

About (4S)-4-methoxyundecan-1-ol

(4S)-4-methoxyundecan-1-ol (PubChem CID 53329455) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (4S)-4-methoxyundecan-1-ol.

Molecular Properties

Compound Name(4S)-4-methoxyundecan-1-ol
PubChem CID53329455
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(4S)-4-methoxyundecan-1-ol
SMILESCCCCCCC[C@@H](CCCO)OC
InChIInChI=1S/C12H26O2/c1-3-4-5-6-7-9-12(14-2)10-8-11-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1
InChIKeySPXQUPPKYDLATH-LBPRGKRZSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-methoxyundecan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-methoxyoctadecan-1-ol
CID 18347175
(5S)-5-methoxyundecane
CID 118889956
7-methoxynonan-1-ol
CID 91306225
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
2-methoxyoctadecane-1,18-diol
CID 139894208
4-heptadecylheptane-1,7-diol
CID 54374368
4-hexyldodecan-1-ol
CID 23212981
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
12-butoxyoctadecan-1-ol
CID 139752074
sodium;hydride;2-methoxypentadecane-1-sulfonic acid
CID 173458988
(4S)-undecane-1,4-diol
CID 98092447
2-methoxyhexan-1-ol
CID 12754599

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxyundecan-1-ol?
The IUPAC name of (4S)-4-methoxyundecan-1-ol (CID 53329455) is (4S)-4-methoxyundecan-1-ol.
What is the SMILES notation for (4S)-4-methoxyundecan-1-ol?
The canonical SMILES for (4S)-4-methoxyundecan-1-ol is CCCCCCC[C@@H](CCCO)OC.
What is the InChIKey of (4S)-4-methoxyundecan-1-ol?
The InChIKey is SPXQUPPKYDLATH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26O2/c1-3-4-5-6-7-9-12(14-2)10-8-11-13/h12-13H,3-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-methoxyundecan-1-ol?
(4S)-4-methoxyundecan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxyundecan-1-ol is sourced from PubChem (CID 53329455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).