4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one

C19H30O3 — CID 158967576

IUPAC4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one
SMILESCC1=CCOC12CCCCC2.O=C1CCOC12CCCCC2
InChIInChI=1S/C10H16O.C9H14O2/c1-9-5-8-11-10(9)6-3-2-4-7-10;10-8-4-7-11-9(8)5-2-1-3-6-9/h5H,2-4,6-8H2,1H3;1-7H2
InChIKeyJNJZWCPPXZIIAQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.34
Rot. Bonds

About 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one

4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one (PubChem CID 158967576) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one
PubChem CID158967576
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one
SMILESCC1=CCOC12CCCCC2.O=C1CCOC12CCCCC2
InChIInChI=1S/C10H16O.C9H14O2/c1-9-5-8-11-10(9)6-3-2-4-7-10;10-8-4-7-11-9(8)5-2-1-3-6-9/h5H,2-4,6-8H2,1H3;1-7H2
InChIKeyJNJZWCPPXZIIAQ-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6,6,10-Tetramethyl-1-oxaspiro[4.5]dec-9-en-3-one
CID 54188185
2-ethyl-4-(2-ethylbutyl)-5-[(E)-pent-2-en-3-yl]oxolan-3-one
CID 140298622
2,3-Didecyl-2-pentoxycyclopent-3-en-1-one
CID 174407923
1-Oxaspiro[4.5]dec-6-en-4-one
CID 24972362
Cyclohexyl-(1-methoxy-2,3,6-trimethylcyclohexa-2,5-dien-1-yl)methanone
CID 174733488

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one?
The IUPAC name of 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one (CID 158967576) is 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one?
The canonical SMILES for 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one is CC1=CCOC12CCCCC2.O=C1CCOC12CCCCC2.
What is the InChIKey of 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one?
The InChIKey is JNJZWCPPXZIIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.C9H14O2/c1-9-5-8-11-10(9)6-3-2-4-7-10;10-8-4-7-11-9(8)5-2-1-3-6-9/h5H,2-4,6-8H2,1H3;1-7H2.
What are the key properties of 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one?
4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one has a molecular weight of 306.45 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxaspiro[4.5]dec-3-ene;1-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 158967576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).