butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate

C9H17NO5 — CID 144589052

IUPACbutyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
SMILESCCCCOC(=O)NC1COC(O)OC1
InChIInChI=1S/C9H17NO5/c1-2-3-4-13-8(11)10-7-5-14-9(12)15-6-7/h7,9,12H,2-6H2,1H3,(H,10,11)
InChIKeyYVYIIUTZNOMEQJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.20
Rot. Bonds4

About butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate

butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate (PubChem CID 144589052) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
PubChem CID144589052
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namebutyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate
SMILESCCCCOC(=O)NC1COC(O)OC1
InChIInChI=1S/C9H17NO5/c1-2-3-4-13-8(11)10-7-5-14-9(12)15-6-7/h7,9,12H,2-6H2,1H3,(H,10,11)
InChIKeyYVYIIUTZNOMEQJ-UHFFFAOYSA-N
XLogP0.20
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(3-hydroxycyclobutyl)carbamate
CID 90731053
butyl N-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 7614508
butyl N-[6-(cyanomethyl)oxan-3-yl]carbamate
CID 118484486
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
octadecyl N-cyclohexylcarbamate
CID 70449091
octyl N-cyclohexylcarbamate
CID 141434119
butyl N-(1,3-dihydroxypropan-2-yl)carbamate;butyl N-(2-oxo-1,3-dioxan-5-yl)carbamate
CID 158696484
butyl N-[(1S,2S)-2-hydroxycyclopentyl]carbamate
CID 160683329
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
propyl N-(oxan-4-yl)carbamate
CID 89062839
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
butyl N-[(3R,4R)-4-methylpyrrolidin-3-yl]carbamate
CID 54259099

Frequently Asked Questions

What is the IUPAC name of butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate?
The IUPAC name of butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate (CID 144589052) is butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate.
What is the SMILES notation for butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate?
The canonical SMILES for butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate is CCCCOC(=O)NC1COC(O)OC1.
What is the InChIKey of butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate?
The InChIKey is YVYIIUTZNOMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-2-3-4-13-8(11)10-7-5-14-9(12)15-6-7/h7,9,12H,2-6H2,1H3,(H,10,11).
What are the key properties of butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate?
butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(2-hydroxy-1,3-dioxan-5-yl)carbamate is sourced from PubChem (CID 144589052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).