(2E)-2-ethylidene-4-hexyl-1,3-dioxolane

C11H20O2 — CID 70507819

IUPAC(2E)-2-ethylidene-4-hexyl-1,3-dioxolane
SMILESC/C=C1\OCC(CCCCCC)O1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-10-9-12-11(4-2)13-10/h4,10H,3,5-9H2,1-2H3/b11-4+
InChIKeyLMNRYVNJUITJDC-NYYWCZLTSA-N
MW184.28 g/mol
LogP3.23
Rot. Bonds5

About (2E)-2-ethylidene-4-hexyl-1,3-dioxolane

(2E)-2-ethylidene-4-hexyl-1,3-dioxolane (PubChem CID 70507819) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2E)-2-ethylidene-4-hexyl-1,3-dioxolane.

Molecular Properties

Compound Name(2E)-2-ethylidene-4-hexyl-1,3-dioxolane
PubChem CID70507819
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2E)-2-ethylidene-4-hexyl-1,3-dioxolane
SMILESC/C=C1\OCC(CCCCCC)O1
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-10-9-12-11(4-2)13-10/h4,10H,3,5-9H2,1-2H3/b11-4+
InChIKeyLMNRYVNJUITJDC-NYYWCZLTSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
5,7-dimethyl-3-tetradecyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 118155018
(2R)-2-octadecyloxirane
CID 98043533
2-tetratetracontyloxirane
CID 102093754
2-tetradecyloxirane
CID 23741
2-hexadecyloxirane;tetradecane
CID 174899291
(2S)-2-pentadecyloxirane
CID 10706151
2-hexatetracontyloxirane
CID 102093756
2-hexadecyloxirane;2-hexyloxirane
CID 161227178
4-butyl-1,3-dioxolan-2-one
CID 162009451

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-4-hexyl-1,3-dioxolane?
The IUPAC name of (2E)-2-ethylidene-4-hexyl-1,3-dioxolane (CID 70507819) is (2E)-2-ethylidene-4-hexyl-1,3-dioxolane.
What is the SMILES notation for (2E)-2-ethylidene-4-hexyl-1,3-dioxolane?
The canonical SMILES for (2E)-2-ethylidene-4-hexyl-1,3-dioxolane is C/C=C1\OCC(CCCCCC)O1.
What is the InChIKey of (2E)-2-ethylidene-4-hexyl-1,3-dioxolane?
The InChIKey is LMNRYVNJUITJDC-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-5-6-7-8-10-9-12-11(4-2)13-10/h4,10H,3,5-9H2,1-2H3/b11-4+.
What are the key properties of (2E)-2-ethylidene-4-hexyl-1,3-dioxolane?
(2E)-2-ethylidene-4-hexyl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-4-hexyl-1,3-dioxolane is sourced from PubChem (CID 70507819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).