2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

C14H22O2 — CID 10421105

IUPAC2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCCC/C=C/C1=CC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O2/c1-4-5-6-7-8-12-9-14(12)15-10-13(2,3)11-16-14/h7-9H,4-6,10-11H2,1-3H3/b8-7+
InChIKeyCGFAETRILTYFFR-BQYQJAHWSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds4

About 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (PubChem CID 10421105) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
PubChem CID10421105
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCCC/C=C/C1=CC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O2/c1-4-5-6-7-8-12-9-14(12)15-10-13(2,3)11-16-14/h7-9H,4-6,10-11H2,1-3H3/b8-7+
InChIKeyCGFAETRILTYFFR-BQYQJAHWSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.44
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

Lithium 2-methyl-2-phenyl-1,3-dioxane
CID 134861314
(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane
CID 134897173
(2E)-6,6-dimethyl-2-(2-methylpropylidene)-4,8-dioxaspiro[2.5]octane
CID 10845571
1-Ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 15933005
Magnesium;2,5,5-trimethyl-2-phenyl-1,3-dioxane;bromide
CID 14238760
5,5-dimethyl-2-[(1E,3E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,3,5,9,13-pentaenyl]-1,3-dioxane
CID 58792495
2-But-2-en-2-yl-2,5,5-trimethyl-1,3-dioxane
CID 69101810
2-[(E)-but-2-en-2-yl]-2,5,5-trimethyl-1,3-dioxane
CID 69101880
5,5-Dimethyl-2-(2,6,10,14-tetramethylpentadeca-1,3,5,9,13-pentaenyl)-1,3-dioxane
CID 72425255
2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane
CID 87997072
2-(4,8-Dimethylnona-1,3,7-trienyl)-2,5-dimethyl-1,3-dioxane
CID 90238481
2-[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-2-methyl-1,3-dioxane
CID 90238841

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The IUPAC name of 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (CID 10421105) is 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.
What is the SMILES notation for 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The canonical SMILES for 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is CCCC/C=C/C1=CC12OCC(C)(C)CO2.
What is the InChIKey of 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The InChIKey is CGFAETRILTYFFR-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-5-6-7-8-12-9-14(12)15-10-13(2,3)11-16-14/h7-9H,4-6,10-11H2,1-3H3/b8-7+.
What are the key properties of 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene has a molecular weight of 222.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is sourced from PubChem (CID 10421105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).