(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol

C16H32O2 — CID 134492565

IUPAC(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
SMILESCCCCCCC(CCC)C1CC[C@H](O)[C@H](C)O1
InChIInChI=1S/C16H32O2/c1-4-6-7-8-10-14(9-5-2)16-12-11-15(17)13(3)18-16/h13-17H,4-12H2,1-3H3/t13-,14?,15-,16?/m0/s1
InChIKeyPUFMBBJRMQVWDO-UIDBIOKJSA-N
MW256.43 g/mol
LogP4.30
Rot. Bonds8

About (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol

(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol (PubChem CID 134492565) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
PubChem CID134492565
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol
SMILESCCCCCCC(CCC)C1CC[C@H](O)[C@H](C)O1
InChIInChI=1S/C16H32O2/c1-4-6-7-8-10-14(9-5-2)16-12-11-15(17)13(3)18-16/h13-17H,4-12H2,1-3H3/t13-,14?,15-,16?/m0/s1
InChIKeyPUFMBBJRMQVWDO-UIDBIOKJSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-6-decan-4-yl-2-methyloxan-3-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

2-methyl-6-octan-2-yloxan-3-ol
CID 146182502
2-decan-4-yl-3-methyloxirane
CID 88790238
(2S)-2-methyl-6-tetradecoxyoxan-3-ol
CID 144591243
2-decan-4-yl-1,4-dimethylcyclohexane
CID 123729165
1-(5-ethyloxolan-2-yl)tridecan-1-ol
CID 20670075
(3S)-4-decan-4-yl-1-methylpyrrolidin-3-ol
CID 170266119
4-[1-(4-hydroxy-5-methyloxolan-2-yl)hexoxy]butane-1,3-diol
CID 143470723
(1S)-1-[(2S,5R)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 11533144
3-undecan-5-yldioxolane
CID 88733084
(2S,3S,5S)-5-[(1S)-1-hydroxyheptyl]-2-pentyloxolan-3-ol
CID 101465575
(1S,4S)-1-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-4-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butane-1,4-diol
CID 11988735
1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol?
The IUPAC name of (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol (CID 134492565) is (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol.
What is the SMILES notation for (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol?
The canonical SMILES for (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol is CCCCCCC(CCC)C1CC[C@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol?
The InChIKey is PUFMBBJRMQVWDO-UIDBIOKJSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-6-7-8-10-14(9-5-2)16-12-11-15(17)13(3)18-16/h13-17H,4-12H2,1-3H3/t13-,14?,15-,16?/m0/s1.
What are the key properties of (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol?
(2S,3S)-6-decan-4-yl-2-methyloxan-3-ol has a molecular weight of 256.43 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-6-decan-4-yl-2-methyloxan-3-ol is sourced from PubChem (CID 134492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).