(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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Related Compounds

(2S,3S,3aR,4S,6E,10E,11aS)-2-methoxy-3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-ol
CID 162928645
(2S,3aS,6Z,10E,11aS)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 162981569
(2S,3aS,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-ol
CID 163191300
2-Furanol, tetrahydro-5-methyl-5-(4-methyl-3-penten-1-yl)-
CID 15146944
(5S)-5-methyl-5-[(E)-oct-2-enyl]oxolan-2-ol
CID 134224514
(2S,4R,5R,8S)-4,6,7,8-tetramethyl-1-oxaspiro[4.5]dec-6-en-2-ol
CID 134857943
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
CID 134901618
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
3-(4-Hydroxy-4-methylpentyl)-2,5-dihydrofuran-2-ol
CID 135049829
5-Methyl-5-(4-methyl-3-pentenyl)tetrahydro-2-furanol
CID 3085585
6,6,10-Trimethyl-1-oxaspiro[4.5]dec-9-en-2-ol
CID 14086364
(2S)-5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
CID 101986646

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).