[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol

C19H36O3 — CID 125479888

IUPAC[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCCC/C=C/CCCCCCC[C@H]1OC[C@@H](CO)O1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-17-18(16-20)22-19/h7-8,18-20H,2-6,9-17H2,1H3/b8-7+/t18-,19+/m1/s1
InChIKeySVTDBTSFBOAOCZ-ZSQQTYLHSA-N
MW312.49 g/mol
LogP4.98
Rot. Bonds14

About [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol

[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol (PubChem CID 125479888) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
PubChem CID125479888
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
SMILESCCCCCC/C=C/CCCCCCC[C@H]1OC[C@@H](CO)O1
InChIInChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-17-18(16-20)22-19/h7-8,18-20H,2-6,9-17H2,1H3/b8-7+/t18-,19+/m1/s1
InChIKeySVTDBTSFBOAOCZ-ZSQQTYLHSA-N
XLogP4.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nonadec-10-enyloxirane
CID 54194145
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
[(2R,4R)-2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 58758371
[(2S,4S)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methoxy-hydroxy-oxido-sulfanylidene-λ5-phosphane
CID 91936388
[(2S,4S)-2-[(E)-heptadec-9-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate
CID 91936393
[2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methyl hydrogen phosphate
CID 58758375
octadec-9-enoic acid;oxiran-2-ylmethanol
CID 173054254
2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
N,N-dimethyl-1-[2-[(9Z,12Z)-octadeca-9,12-dienyl]-1,3-dioxan-4-yl]methanamine
CID 156756130
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
2-(35-chloropentatriaconta-12,24-dienyl)-1,3-dioxolane;hexane
CID 68609176

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol (CID 125479888) is [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol is CCCCCC/C=C/CCCCCCC[C@H]1OC[C@@H](CO)O1.
What is the InChIKey of [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol?
The InChIKey is SVTDBTSFBOAOCZ-ZSQQTYLHSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-21-17-18(16-20)22-19/h7-8,18-20H,2-6,9-17H2,1H3/b8-7+/t18-,19+/m1/s1.
What are the key properties of [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol?
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol has a molecular weight of 312.49 g/mol, XLogP of 4.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 125479888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).