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

C24H48O3 — CID 14785833

IUPAC[4-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOCC1COC(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
InChIKeyKRQMXAPHDYIDRY-UHFFFAOYSA-N
MW384.65 g/mol
LogP6.66
Rot. Bonds20

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

[4-(octadecoxymethyl)oxolan-2-yl]methanol (PubChem CID 14785833) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is [4-(octadecoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-(octadecoxymethyl)oxolan-2-yl]methanol
PubChem CID14785833
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name[4-(octadecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCCCOCC1COC(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
InChIKeyKRQMXAPHDYIDRY-UHFFFAOYSA-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'}

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Related Compounds

[(2R,4R)-4-(octadecoxymethyl)oxolan-2-yl]methanol
CID 67903515
[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
CID 18644179
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 [4-(octadecoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [4-(octadecoxymethyl)oxolan-2-yl]methanol (CID 14785833) is [4-(octadecoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [4-(octadecoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [4-(octadecoxymethyl)oxolan-2-yl]methanol is CCCCCCCCCCCCCCCCCCOCC1COC(CO)C1.
What is the InChIKey of [4-(octadecoxymethyl)oxolan-2-yl]methanol?
The InChIKey is KRQMXAPHDYIDRY-UHFFFAOYSA-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.
What are the key properties of [4-(octadecoxymethyl)oxolan-2-yl]methanol?
[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 [4-(octadecoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 14785833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).