[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol

C24H48O3 — CID 67903515

IUPAC[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)C1
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-23-19-24(20-25)27-22-23/h23-25H,2-22H2,1H3/t23-,24-/m1/s1
InChIKeyKRQMXAPHDYIDRY-DNQXCXABSA-N
MW384.65 g/mol
LogP6.66
Rot. Bonds20

About [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol

[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol (PubChem CID 67903515) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
PubChem CID67903515
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)C1
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-23-19-24(20-25)27-22-23/h23-25H,2-22H2,1H3/t23-,24-/m1/s1
InChIKeyKRQMXAPHDYIDRY-DNQXCXABSA-N
XLogP6.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol 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

[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
CID 18644179
[4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 14785833
2-(hexadecoxymethyl)-4-(hexoxymethyl)oxolane
CID 57195550
[5-(octadecoxymethyl)oxolan-3-yl]methanol
CID 14785862
[5-(butoxymethyl)oxan-2-yl]methanol
CID 71178277
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol (CID 67903515) is [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol is CCCCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)C1.
What is the InChIKey of [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol?
The InChIKey is KRQMXAPHDYIDRY-DNQXCXABSA-N. The full InChI is InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-21-23-19-24(20-25)27-22-23/h23-25H,2-22H2,1H3/t23-,24-/m1/s1.
What are the key properties of [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol?
[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol has a molecular weight of 384.65 g/mol, XLogP of 6.66, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 67903515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).