(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol

C14H26O2 — CID 10376425

IUPAC(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol
SMILESC/C=C1\CC(CCCC)(CCCC)OC1O
InChIInChI=1S/C14H26O2/c1-4-7-9-14(10-8-5-2)11-12(6-3)13(15)16-14/h6,13,15H,4-5,7-11H2,1-3H3/b12-6+
InChIKeyMJSRQFOQXYHTIR-WUXMJOGZSA-N
MW226.36 g/mol
LogP3.79
Rot. Bonds6

About (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol

(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol (PubChem CID 10376425) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol.

Molecular Properties

Compound Name(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol
PubChem CID10376425
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol
SMILESC/C=C1\CC(CCCC)(CCCC)OC1O
InChIInChI=1S/C14H26O2/c1-4-7-9-14(10-8-5-2)11-12(6-3)13(15)16-14/h6,13,15H,4-5,7-11H2,1-3H3/b12-6+
InChIKeyMJSRQFOQXYHTIR-WUXMJOGZSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol?
The IUPAC name of (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol (CID 10376425) is (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol.
What is the SMILES notation for (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol?
The canonical SMILES for (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol is C/C=C1\CC(CCCC)(CCCC)OC1O.
What is the InChIKey of (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol?
The InChIKey is MJSRQFOQXYHTIR-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-7-9-14(10-8-5-2)11-12(6-3)13(15)16-14/h6,13,15H,4-5,7-11H2,1-3H3/b12-6+.
What are the key properties of (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol?
(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol is sourced from PubChem (CID 10376425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).