2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

C16H26O — CID 11117996

IUPAC2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC2(CCCCC2)OC1CCCC
InChIInChI=1S/C16H26O/c1-3-5-10-15-14(9-4-2)13-16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3
InChIKeyKDBJLRNCOKLMJX-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.78
Rot. Bonds5

About 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene

2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (PubChem CID 11117996) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
PubChem CID11117996
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
SMILESC=CCC1=CC2(CCCCC2)OC1CCCC
InChIInChI=1S/C16H26O/c1-3-5-10-15-14(9-4-2)13-16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3
InChIKeyKDBJLRNCOKLMJX-UHFFFAOYSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-5-(1-methylpropenyl)tetrahydrofuran
CID 92002
Tetrahydro-2,2-dimethyl-5-((1Z)-1-methyl-1-propen-1-yl)furan
CID 6436627
1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Tetrahydro-2,2-dimethyl-5-(1-methyl-1-propenyl)furan, (E)-
CID 5363526
6-Ethyl-2,10,10-trimethyl-1-oxaspiro[4.5]deca-3,6-diene
CID 22219099
(2S,7S,8S)-sarcophytoxide
CID 6440443
2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
(1R,2E,6S,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
CID 13245417
1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
CID 171338
(1S,2E,6S,8R,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
CID 44575431
(-)-(2R,7R,8R)-Sarcophytoxide
CID 20839470
(1R,2E,6R,8S,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene
CID 54585297

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene (CID 11117996) is 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is C=CCC1=CC2(CCCCC2)OC1CCCC.
What is the InChIKey of 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
The InChIKey is KDBJLRNCOKLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-5-10-15-14(9-4-2)13-16(17-15)11-7-6-8-12-16/h4,13,15H,2-3,5-12H2,1H3.
What are the key properties of 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene?
2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene has a molecular weight of 234.38 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 11117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).