[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol

C18H36O3 — CID 18644179

IUPAC[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCOC[C@H]1CO[C@H](CO)C1
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-15-17-13-18(14-19)21-16-17/h17-19H,2-16H2,1H3/t17-,18-/m0/s1
InChIKeySKODJIYPRDDBIE-ROUUACIJSA-N
MW300.48 g/mol
LogP4.32
Rot. Bonds14

About [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol

[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol (PubChem CID 18644179) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
PubChem CID18644179
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol
SMILESCCCCCCCCCCCCOC[C@H]1CO[C@H](CO)C1
InChIInChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-15-17-13-18(14-19)21-16-17/h17-19H,2-16H2,1H3/t17-,18-/m0/s1
InChIKeySKODJIYPRDDBIE-ROUUACIJSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.32
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
[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 [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol (CID 18644179) is [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol is CCCCCCCCCCCCOC[C@H]1CO[C@H](CO)C1.
What is the InChIKey of [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol?
The InChIKey is SKODJIYPRDDBIE-ROUUACIJSA-N. The full InChI is InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-20-15-17-13-18(14-19)21-16-17/h17-19H,2-16H2,1H3/t17-,18-/m0/s1.
What are the key properties of [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol?
[(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol has a molecular weight of 300.48 g/mol, XLogP of 4.32, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(dodecoxymethyl)oxolan-2-yl]methanol is sourced from PubChem (CID 18644179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).