[(2S,5R)-5-heptadecyloxolan-2-yl]methanol

C22H44O2 — CID 57189033

IUPAC[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(20-23)24-21/h21-23H,2-20H2,1H3/t21-,22+/m1/s1
InChIKeySCSLLJFKDVCDKZ-YADHBBJMSA-N
MW340.59 g/mol
LogP6.79
Rot. Bonds17

About [(2S,5R)-5-heptadecyloxolan-2-yl]methanol

[(2S,5R)-5-heptadecyloxolan-2-yl]methanol (PubChem CID 57189033) has the molecular formula C22H44O2 and a molecular weight of 340.59 g/mol. Its IUPAC name is [(2S,5R)-5-heptadecyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
PubChem CID57189033
Molecular FormulaC22H44O2
Molecular Weight340.59 g/mol
Exact Mass340.33
IUPAC Name[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCCCC[C@@H]1CC[C@@H](CO)O1
InChIInChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(20-23)24-21/h21-23H,2-20H2,1H3/t21-,22+/m1/s1
InChIKeySCSLLJFKDVCDKZ-YADHBBJMSA-N
XLogP6.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
(5-heptyloxolan-2-yl)methanol
CID 11820121
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
2-methyl-5-octadecyloxolane
CID 167511066
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
ethanol;2-pentadecyloxetane
CID 68938646
[(2S,5R,6S)-6-decyl-5-(methoxymethoxy)oxan-2-yl]methanol
CID 11023515
3-[5-(3-hydroxypropyl)oxolan-2-yl]propan-1-ol
CID 20529882
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442
2-octadecyloxetane
CID 168986267
(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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-heptadecyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-heptadecyloxolan-2-yl]methanol (CID 57189033) is [(2S,5R)-5-heptadecyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-heptadecyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-heptadecyloxolan-2-yl]methanol is CCCCCCCCCCCCCCCCC[C@@H]1CC[C@@H](CO)O1.
What is the InChIKey of [(2S,5R)-5-heptadecyloxolan-2-yl]methanol?
The InChIKey is SCSLLJFKDVCDKZ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22(20-23)24-21/h21-23H,2-20H2,1H3/t21-,22+/m1/s1.
What are the key properties of [(2S,5R)-5-heptadecyloxolan-2-yl]methanol?
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol has a molecular weight of 340.59 g/mol, XLogP of 6.79, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-heptadecyloxolan-2-yl]methanol is sourced from PubChem (CID 57189033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).