(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane

C16H28O2 — CID 101090101

IUPAC(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane
SMILESCCOC1C/C(=C\C(C)(C)C)C2(CCCCC2)O1
InChIInChI=1S/C16H28O2/c1-5-17-14-11-13(12-15(2,3)4)16(18-14)9-7-6-8-10-16/h12,14H,5-11H2,1-4H3/b13-12+
InChIKeyKNJFSUOGEDOZKR-OUKQBFOZSA-N
MW252.40 g/mol
LogP4.44
Rot. Bonds2

About (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane

(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane (PubChem CID 101090101) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane.

Molecular Properties

Compound Name(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane
PubChem CID101090101
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane
SMILESCCOC1C/C(=C\C(C)(C)C)C2(CCCCC2)O1
InChIInChI=1S/C16H28O2/c1-5-17-14-11-13(12-15(2,3)4)16(18-14)9-7-6-8-10-16/h12,14H,5-11H2,1-4H3/b13-12+
InChIKeyKNJFSUOGEDOZKR-OUKQBFOZSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,7aR)-7a-[(E)-but-2-en-2-yl]-2-methyl-4,5,6,7-tetrahydro-3aH-1,3-benzodioxole
CID 13834682
(3aR,7aR)-7a-[(Z)-but-2-en-2-yl]-2-methyl-4,5,6,7-tetrahydro-3aH-1,3-benzodioxole
CID 13834684
(8S)-7,9-dioxadispiro[5.1.58.26]pentadec-12-ene
CID 134858820
(2S)-5-methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
CID 101986646
3-(1-Methoxyethoxy)-3-methylbicyclo[3.3.1]non-1-ene
CID 132011759
1-Methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene
CID 150581000
3-Butyl-1-methoxy-1,3,3a,4,5,6-hexahydro-2-benzofuran
CID 163708833
4-(Cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
CID 168932661
(5S)-4-(cyclohexen-1-yl)-5-methoxy-2,2-dimethyloxolane
CID 170034463
(3E)-3-ethylidene-1-oxaspiro[4.5]decan-2-ol
CID 10352330
(3E)-5,5-dibutyl-3-ethylideneoxolan-2-ol
CID 10376425
5-Methoxy-2-methyl-3,4-dimethylidene-2-(4-methylpent-3-enyl)oxolane
CID 10585147

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane?
The IUPAC name of (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane (CID 101090101) is (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane.
What is the SMILES notation for (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane?
The canonical SMILES for (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane is CCOC1C/C(=C\C(C)(C)C)C2(CCCCC2)O1.
What is the InChIKey of (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane?
The InChIKey is KNJFSUOGEDOZKR-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H28O2/c1-5-17-14-11-13(12-15(2,3)4)16(18-14)9-7-6-8-10-16/h12,14H,5-11H2,1-4H3/b13-12+.
What are the key properties of (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane?
(4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane has a molecular weight of 252.40 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(2,2-dimethylpropylidene)-2-ethoxy-1-oxaspiro[4.5]decane is sourced from PubChem (CID 101090101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).