(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol

C20H40O4 — CID 123535578

IUPAC(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
SMILESCCCCCCCCCCCCCCCC1OCC(COCO)O1
InChIInChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-17-19(24-20)16-22-18-21/h19-21H,2-18H2,1H3
InChIKeyRIDIJXOKEAVJNH-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.18
Rot. Bonds17

About (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol

(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol (PubChem CID 123535578) has the molecular formula C20H40O4 and a molecular weight of 344.54 g/mol. Its IUPAC name is (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol.

Molecular Properties

Compound Name(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
PubChem CID123535578
Molecular FormulaC20H40O4
Molecular Weight344.54 g/mol
Exact Mass344.29
IUPAC Name(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
SMILESCCCCCCCCCCCCCCCC1OCC(COCO)O1
InChIInChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-17-19(24-20)16-22-18-21/h19-21H,2-18H2,1H3
InChIKeyRIDIJXOKEAVJNH-UHFFFAOYSA-N
XLogP5.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
methyl 2-[[(2S)-2-heptyl-1,3-dioxolan-4-yl]methoxy]acetate
CID 171064920
[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460
[(2S,4R)-2-[(E)-pentadec-8-enyl]-1,3-dioxolan-4-yl]methanol
CID 125479888
2-(oxiran-2-ylmethoxymethyl)oxirane;tetradecane
CID 87058991
hexane;hexane-1,6-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174849924
1-[6-[[(2R,4R)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]hexyl]pyridin-1-ium
CID 88527875
1-[4-[[(2S,4S)-2-heptadecyl-1,3-dioxolan-4-yl]methoxy]butyl]pyridin-1-ium
CID 88529103
[(2R,4R)-2-[(Z)-heptadec-8-enyl]-1,3-dioxolan-4-yl]methoxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 58758371
1-(2-undecyl-1,3-dioxolan-4-yl)ethane-1,2-diol
CID 13379201
(2S,4R)-4-methyl-2-nonyl-1,3-dioxolane
CID 76959550
(2R,4R)-4-methyl-2-octyl-1,3-dioxolane
CID 76956297

Frequently Asked Questions

What is the IUPAC name of (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol?
The IUPAC name of (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol (CID 123535578) is (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol.
What is the SMILES notation for (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol?
The canonical SMILES for (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol is CCCCCCCCCCCCCCCC1OCC(COCO)O1.
What is the InChIKey of (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol?
The InChIKey is RIDIJXOKEAVJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23-17-19(24-20)16-22-18-21/h19-21H,2-18H2,1H3.
What are the key properties of (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol?
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol has a molecular weight of 344.54 g/mol, XLogP of 5.18, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol is sourced from PubChem (CID 123535578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).