(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol

C12H22O2 — CID 10442733

IUPAC(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol
SMILESC/C=C1\CC(CCC)(CCC)OC1O
InChIInChI=1S/C12H22O2/c1-4-7-12(8-5-2)9-10(6-3)11(13)14-12/h6,11,13H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyJYGRINGAUNIHEZ-UXBLZVDNSA-N
MW198.31 g/mol
LogP3.01
Rot. Bonds4

About (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol

(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol (PubChem CID 10442733) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol.

Molecular Properties

Compound Name(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol
PubChem CID10442733
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol
SMILESC/C=C1\CC(CCC)(CCC)OC1O
InChIInChI=1S/C12H22O2/c1-4-7-12(8-5-2)9-10(6-3)11(13)14-12/h6,11,13H,4-5,7-9H2,1-3H3/b10-6+
InChIKeyJYGRINGAUNIHEZ-UXBLZVDNSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.01
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)-3-ethylidene-5,5-dipropyloxolan-2-ol?
The IUPAC name of (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol (CID 10442733) is (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol.
What is the SMILES notation for (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol?
The canonical SMILES for (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol is C/C=C1\CC(CCC)(CCC)OC1O.
What is the InChIKey of (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol?
The InChIKey is JYGRINGAUNIHEZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-7-12(8-5-2)9-10(6-3)11(13)14-12/h6,11,13H,4-5,7-9H2,1-3H3/b10-6+.
What are the key properties of (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol?
(3E)-3-ethylidene-5,5-dipropyloxolan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-5,5-dipropyloxolan-2-ol is sourced from PubChem (CID 10442733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).