butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate

C10H16O3 — CID 71441286

IUPACbutyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CC=CCO1
InChIInChI=1S/C10H16O3/c1-2-3-7-13-10(11)9-6-4-5-8-12-9/h4-5,9H,2-3,6-8H2,1H3/t9-/m1/s1
InChIKeyOORQVNDBKIXGJD-SECBINFHSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate

butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate (PubChem CID 71441286) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate.

Molecular Properties

Compound Namebutyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate
PubChem CID71441286
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namebutyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate
SMILESCCCCOC(=O)[C@H]1CC=CCO1
InChIInChI=1S/C10H16O3/c1-2-3-7-13-10(11)9-6-4-5-8-12-9/h4-5,9H,2-3,6-8H2,1H3/t9-/m1/s1
InChIKeyOORQVNDBKIXGJD-SECBINFHSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
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

lithium;3,6-dihydro-2H-pyran-2-carboxylic acid;ethyl 3,6-dihydro-2H-pyran-2-carboxylate;hydroxide
CID 159552567
hexyl oxirane-2-carboxylate
CID 57150348
2-O-decyl 1-O-pentyl cyclohex-4-ene-1,2-dicarboxylate
CID 91712373
butyl 1,4-dioxane-2-carboxylate
CID 112727937
1-O-ethyl 2-O-hexadecyl cyclohex-4-ene-1,2-dicarboxylate
CID 69475853
butyl 2-octyl-1,3-dioxolane-4-carboxylate
CID 157155463
butyl 1,3-oxathiolane-2-carboxylate
CID 23338930
1-O-methyl 2-O-undecyl cyclohex-4-ene-1,2-dicarboxylate
CID 69473863
6-henicosoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472499
6-undecoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69473502
6-octoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69471913
6-decoxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 69472503

Frequently Asked Questions

What is the IUPAC name of butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate?
The IUPAC name of butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate (CID 71441286) is butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate.
What is the SMILES notation for butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate?
The canonical SMILES for butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate is CCCCOC(=O)[C@H]1CC=CCO1.
What is the InChIKey of butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate?
The InChIKey is OORQVNDBKIXGJD-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-3-7-13-10(11)9-6-4-5-8-12-9/h4-5,9H,2-3,6-8H2,1H3/t9-/m1/s1.
What are the key properties of butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate?
butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (2R)-3,6-dihydro-2H-pyran-2-carboxylate is sourced from PubChem (CID 71441286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).