(2S,5R)-2,5-di(pentadecyl)oxolane

C34H68O — CID 71352690

IUPAC(2S,5R)-2,5-di(pentadecyl)oxolane
SMILESCCCCCCCCCCCCCCC[C@@H]1CC[C@H](CCCCCCCCCCCCCCC)O1
InChIInChI=1S/C34H68O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-32-34(35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/t33-,34+
InChIKeyXRRMNCDYVQVVSW-AQOUDTPCSA-N
MW492.92 g/mol
LogP12.50
Rot. Bonds28

About (2S,5R)-2,5-di(pentadecyl)oxolane

(2S,5R)-2,5-di(pentadecyl)oxolane (PubChem CID 71352690) has the molecular formula C34H68O and a molecular weight of 492.92 g/mol. Its IUPAC name is (2S,5R)-2,5-di(pentadecyl)oxolane.

Molecular Properties

Compound Name(2S,5R)-2,5-di(pentadecyl)oxolane
PubChem CID71352690
Molecular FormulaC34H68O
Molecular Weight492.92 g/mol
Exact Mass492.53
IUPAC Name(2S,5R)-2,5-di(pentadecyl)oxolane
SMILESCCCCCCCCCCCCCCC[C@@H]1CC[C@H](CCCCCCCCCCCCCCC)O1
InChIInChI=1S/C34H68O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-32-34(35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/t33-,34+
InChIKeyXRRMNCDYVQVVSW-AQOUDTPCSA-N
XLogP12.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds28
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
2-methyl-5-octadecyloxolane
CID 167511066
2-(5-decyloxolan-2-yl)acetic acid
CID 14377096
2-octadecyloxetane
CID 168986267
2-tetratetracontyloxirane
CID 102093754
(2R)-2-octadecyloxirane
CID 98043533
2-tetradecyloxirane
CID 23741
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-di(pentadecyl)oxolane?
The IUPAC name of (2S,5R)-2,5-di(pentadecyl)oxolane (CID 71352690) is (2S,5R)-2,5-di(pentadecyl)oxolane.
What is the SMILES notation for (2S,5R)-2,5-di(pentadecyl)oxolane?
The canonical SMILES for (2S,5R)-2,5-di(pentadecyl)oxolane is CCCCCCCCCCCCCCC[C@@H]1CC[C@H](CCCCCCCCCCCCCCC)O1.
What is the InChIKey of (2S,5R)-2,5-di(pentadecyl)oxolane?
The InChIKey is XRRMNCDYVQVVSW-AQOUDTPCSA-N. The full InChI is InChI=1S/C34H68O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-31-32-34(35-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3/t33-,34+.
What are the key properties of (2S,5R)-2,5-di(pentadecyl)oxolane?
(2S,5R)-2,5-di(pentadecyl)oxolane has a molecular weight of 492.92 g/mol, XLogP of 12.50, 28 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-di(pentadecyl)oxolane is sourced from PubChem (CID 71352690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).