(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol

C20H40O3 — CID 71567298

IUPAC(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)19-17-22-20(2,3)23-19/h18-19,21H,4-17H2,1-3H3/t18-,19+/m0/s1
InChIKeyUFLSFMKPQRVKPT-RBUKOAKNSA-N
MW328.54 g/mol
LogP5.59
Rot. Bonds14

About (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol (PubChem CID 71567298) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
PubChem CID71567298
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol
SMILESCCCCCCCCCCCCCC[C@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)19-17-22-20(2,3)23-19/h18-19,21H,4-17H2,1-3H3/t18-,19+/m0/s1
InChIKeyUFLSFMKPQRVKPT-RBUKOAKNSA-N
XLogP5.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.59
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

(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]nonan-1-ol
CID 11447934
(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]pentadecan-1-ol
CID 100962398
(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]heptan-1-ol
CID 100962399
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
1-(oxiran-2-yl)dodecan-1-ol
CID 14843341
(1S)-1-[(2S)-oxiran-2-yl]octan-1-ol
CID 10975958
1-(oxiran-2-yl)octadecan-1-ol
CID 57011592
(1S)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]pentan-1-ol
CID 10353745
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
CID 11166077
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
methyl (2R,3R,23R)-23-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-docosyl-3-hydroxytetracosanoate
CID 45378691

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol?
The IUPAC name of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol (CID 71567298) is (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol.
What is the SMILES notation for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol?
The canonical SMILES for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol is CCCCCCCCCCCCCC[C@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol?
The InChIKey is UFLSFMKPQRVKPT-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)19-17-22-20(2,3)23-19/h18-19,21H,4-17H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol?
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol has a molecular weight of 328.54 g/mol, XLogP of 5.59, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentadecan-1-ol is sourced from PubChem (CID 71567298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).