3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane

C15H30O — CID 90996286

IUPAC3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane
SMILESCC.CC.CC1=C(C)C2(CCCCC2)OC1
InChIInChI=1S/C11H18O.2C2H6/c1-9-8-12-11(10(9)2)6-4-3-5-7-11;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyIYVHREJKDIMFAB-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds

About 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane

3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane (PubChem CID 90996286) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane.

Molecular Properties

Compound Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane
PubChem CID90996286
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane
SMILESCC.CC.CC1=C(C)C2(CCCCC2)OC1
InChIInChI=1S/C11H18O.2C2H6/c1-9-8-12-11(10(9)2)6-4-3-5-7-11;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyIYVHREJKDIMFAB-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
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

1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
4-Methyl-1-oxaspiro[5.5]undec-3-ene
CID 11116424
2-Butyl-4-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
CID 11085729
2-Butyl-3-prop-2-enyl-1-oxaspiro[4.5]dec-3-ene
CID 11117996
2-cyclohexyl-4,5-dimethyl-3,6-dihydro-2H-pyran
CID 85736920
2-Cyclohexyl-3,4-dimethyl-2,5-dihydrofuran
CID 20816774
(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 163058112
(2S,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 163058113
9-Methyl-6-oxaspiro[4.5]dec-8-ene
CID 642972
(2R)-2-propyl-1-oxaspiro[4.5]dec-3-ene
CID 102295153
(Dodecyloxy)trimethyl-cyclohexene
CID 129703397
(2R)-2-methyl-1-oxaspiro[4.5]dec-3-ene
CID 134964659

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane?
The IUPAC name of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane (CID 90996286) is 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane.
What is the SMILES notation for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane?
The canonical SMILES for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane is CC.CC.CC1=C(C)C2(CCCCC2)OC1.
What is the InChIKey of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane?
The InChIKey is IYVHREJKDIMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.2C2H6/c1-9-8-12-11(10(9)2)6-4-3-5-7-11;2*1-2/h3-8H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane?
3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane has a molecular weight of 226.40 g/mol, XLogP of 5.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-oxaspiro[4.5]dec-3-ene;ethane is sourced from PubChem (CID 90996286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).