(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol

C25H50O3 — CID 69074201

IUPAC(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC[C@@H](O)C1OC(C)(C)OC1C
InChIInChI=1S/C25H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(2)27-25(3,4)28-24/h22-24,26H,5-21H2,1-4H3/t22?,23-,24?/m1/s1
InChIKeyXKDNWRDVRNPGNJ-NSQNTRMNSA-N
MW398.67 g/mol
LogP7.54
Rot. Bonds18

About (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol

(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol (PubChem CID 69074201) has the molecular formula C25H50O3 and a molecular weight of 398.67 g/mol. Its IUPAC name is (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
PubChem CID69074201
Molecular FormulaC25H50O3
Molecular Weight398.67 g/mol
Exact Mass398.38
IUPAC Name(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCCC[C@@H](O)C1OC(C)(C)OC1C
InChIInChI=1S/C25H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(2)27-25(3,4)28-24/h22-24,26H,5-21H2,1-4H3/t22?,23-,24?/m1/s1
InChIKeyXKDNWRDVRNPGNJ-NSQNTRMNSA-N
XLogP7.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.67
LogP ≤ 57.54
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

1-[(2S,3S)-3-methyloxiran-2-yl]heptan-1-ol
CID 101093236
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
CID 10419307
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
CID 71567298
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
1-(3-hexyloxiran-2-yl)hexan-1-ol
CID 123301383
1-(2,4,5-trimethyloxolan-3-yl)heptan-1-ol
CID 115783440
(1S)-1-[(4S,5R)-2,2-dimethyl-5-tetradec-7-ynyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 58429845
(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butan-1-ol
CID 58962259
(1R)-1-[(4R,5R)-5-[(1R)-1-hydroxy-5-methylhex-5-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhex-5-en-1-ol
CID 10520206
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol?
The IUPAC name of (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol (CID 69074201) is (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol.
What is the SMILES notation for (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol?
The canonical SMILES for (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol is CCCCCCCCCCCCCCCCCC[C@@H](O)C1OC(C)(C)OC1C.
What is the InChIKey of (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol?
The InChIKey is XKDNWRDVRNPGNJ-NSQNTRMNSA-N. The full InChI is InChI=1S/C25H50O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)24-22(2)27-25(3,4)28-24/h22-24,26H,5-21H2,1-4H3/t22?,23-,24?/m1/s1.
What are the key properties of (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol?
(1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol has a molecular weight of 398.67 g/mol, XLogP of 7.54, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,2,5-trimethyl-1,3-dioxolan-4-yl)nonadecan-1-ol is sourced from PubChem (CID 69074201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).