[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol

C19H38O4 — CID 129383460

IUPAC[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)O1
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16-18-17-22-19(15-20)23-18/h18-20H,2-17H2,1H3/t18-,19-/m1/s1
InChIKeyMAVLCXYTXGLYMX-RTBURBONSA-N
MW330.51 g/mol
LogP4.44
Rot. Bonds16

About [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol

[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol (PubChem CID 129383460) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
PubChem CID129383460
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
SMILESCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)O1
InChIInChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16-18-17-22-19(15-20)23-18/h18-20H,2-17H2,1H3/t18-,19-/m1/s1
InChIKeyMAVLCXYTXGLYMX-RTBURBONSA-N
XLogP4.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
2-(decoxymethyl)oxirane;2-(nonoxymethyl)oxirane;2-(octoxymethyl)oxirane
CID 71311396
2-(octoxymethyl)oxirane;2-(tetradecoxymethyl)oxirane
CID 174518537
2-(hexoxymethyl)oxirane;2-(pentoxymethyl)oxirane
CID 159895637
2-(tricosoxymethyl)oxirane
CID 57227005
(2S)-2-(octoxymethyl)oxirane
CID 87274801
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
2-(pentoxymethyl)oxirane
CID 160890113
2-[2-(2-tetradecoxyethoxy)ethoxymethyl]oxirane
CID 86199119
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-nonoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 71327488
[(2R,4R)-4-(hexadecoxymethyl)oxetan-2-yl]methanol
CID 139910442

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol (CID 129383460) is [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol is CCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](CO)O1.
What is the InChIKey of [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is MAVLCXYTXGLYMX-RTBURBONSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-16-18-17-22-19(15-20)23-18/h18-20H,2-17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol?
[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 330.51 g/mol, XLogP of 4.44, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 129383460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).