(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol

C36H74O3 — CID 24879846

IUPAC(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@@H](CC)OC
InChIInChI=1S/C36H74O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-34(37)32-35(38)31-28-27-29-33(3)36(6-2)39-4/h33-38H,5-32H2,1-4H3/t33-,34+,35+,36+/m0/s1
InChIKeyDLFUINXVIXSVJS-NJMTUYGZSA-N
MW554.99 g/mol
LogP11.32
Rot. Bonds32

About (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol

(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol (PubChem CID 24879846) has the molecular formula C36H74O3 and a molecular weight of 554.99 g/mol. Its IUPAC name is (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol.

Molecular Properties

Compound Name(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol
PubChem CID24879846
Molecular FormulaC36H74O3
Molecular Weight554.99 g/mol
Exact Mass554.56
IUPAC Name(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol
SMILESCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@@H](CC)OC
InChIInChI=1S/C36H74O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-34(37)32-35(38)31-28-27-29-33(3)36(6-2)39-4/h33-38H,5-32H2,1-4H3/t33-,34+,35+,36+/m0/s1
InChIKeyDLFUINXVIXSVJS-NJMTUYGZSA-N
XLogP11.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.99
LogP ≤ 511.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol 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

2-Octyldodecanol
CID 21414
2-Hexyl-1-decanol
CID 95337
Dihydrophytol
CID 102459
7-Ethyl-2-methyl-4-undecanol
CID 97948
Decyltetradecanol
CID 93875
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Phytantriol
CID 3018525
3,9-Diethyl-6-tridecanol
CID 225882
Tetradecyloctadecanol
CID 94435
2-Hexyldodecanol
CID 86112
Cetylarachidol
CID 86602
Octyldecanol
CID 3084890

Frequently Asked Questions

What is the IUPAC name of (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol?
The IUPAC name of (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol (CID 24879846) is (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol.
What is the SMILES notation for (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol?
The canonical SMILES for (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol is CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@@H](CC)OC.
What is the InChIKey of (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol?
The InChIKey is DLFUINXVIXSVJS-NJMTUYGZSA-N. The full InChI is InChI=1S/C36H74O3/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-34(37)32-35(38)31-28-27-29-33(3)36(6-2)39-4/h33-38H,5-32H2,1-4H3/t33-,34+,35+,36+/m0/s1.
What are the key properties of (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol?
(3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol has a molecular weight of 554.99 g/mol, XLogP of 11.32, 32 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,9R,11R)-3-methoxy-4-methyltetratriacontane-9,11-diol is sourced from PubChem (CID 24879846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).