8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one

C17H26O3 — CID 10923896

IUPAC8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCCCC/C=C/C1=CC(=O)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C17H26O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-9H,4-6,10-13H2,1-3H3/b8-7+
InChIKeyKHWUKJALULROMM-BQYQJAHWSA-N
MW278.39 g/mol
LogP3.79
Rot. Bonds4

About 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one

8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one (PubChem CID 10923896) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one.

Molecular Properties

Compound Name8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
PubChem CID10923896
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
SMILESCCCC/C=C/C1=CC(=O)CC2(COC(C)(C)OC2)C1
InChIInChI=1S/C17H26O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-9H,4-6,10-13H2,1-3H3/b8-7+
InChIKeyKHWUKJALULROMM-BQYQJAHWSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one with MolForge

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Related Compounds

3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 162419744
4-[1,3]Dioxan-2-yl-3,4-dimethylcyclohex-2-enone
CID 560108
2-[2,2-dimethyl-5-[(E)-2-methylideneoct-3-enyl]-1,3-dioxan-5-yl]acetaldehyde
CID 11044176
3-methyl-3-[(E)-2-(3,3,9,11,11-pentamethyl-1,5-dioxaspiro[5.5]undec-9-en-10-yl)ethenyl]cyclohexan-1-one
CID 11111187
10-(Hex-1-EN-1-YL)-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-9-EN-8-one
CID 71375441
[2,2-Dimethyl-5-(2-methylideneoct-3-en-1-yl)-1,3-dioxan-5-yl]acetaldehyde
CID 71375447
3,3-dimethyl-8-[(E)-2-trimethylsilylethenyl]-2,4-dioxaspiro[5.5]undec-8-en-10-one
CID 101272271

Frequently Asked Questions

What is the IUPAC name of 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The IUPAC name of 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one (CID 10923896) is 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one.
What is the SMILES notation for 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The canonical SMILES for 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one is CCCC/C=C/C1=CC(=O)CC2(COC(C)(C)OC2)C1.
What is the InChIKey of 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
The InChIKey is KHWUKJALULROMM-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-5-6-7-8-14-9-15(18)11-17(10-14)12-19-16(2,3)20-13-17/h7-9H,4-6,10-13H2,1-3H3/b8-7+.
What are the key properties of 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one?
8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one has a molecular weight of 278.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-hex-1-enyl]-3,3-dimethyl-2,4-dioxaspiro[5.5]undec-8-en-10-one is sourced from PubChem (CID 10923896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).