3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one

C28H50O3 — CID 160842776

IUPAC3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one
SMILESCC(C)C1CCC2(CC1)CC(C)(C)CO2.CC(C)C1CCC2(CC1)CC(C)(C)OC2=O
InChIInChI=1S/C14H24O2.C14H26O/c1-10(2)11-5-7-14(8-6-11)9-13(3,4)16-12(14)15;1-11(2)12-5-7-14(8-6-12)9-13(3,4)10-15-14/h10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeySIGBYBGWQOJVIV-UHFFFAOYSA-N
MW434.71 g/mol
LogP7.56
Rot. Bonds2

About 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one

3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one (PubChem CID 160842776) has the molecular formula C28H50O3 and a molecular weight of 434.71 g/mol. Its IUPAC name is 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one
PubChem CID160842776
Molecular FormulaC28H50O3
Molecular Weight434.71 g/mol
Exact Mass434.38
IUPAC Name3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one
SMILESCC(C)C1CCC2(CC1)CC(C)(C)CO2.CC(C)C1CCC2(CC1)CC(C)(C)OC2=O
InChIInChI=1S/C14H24O2.C14H26O/c1-10(2)11-5-7-14(8-6-11)9-13(3,4)16-12(14)15;1-11(2)12-5-7-14(8-6-12)9-13(3,4)10-15-14/h10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeySIGBYBGWQOJVIV-UHFFFAOYSA-N
XLogP7.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one with MolForge

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Related Compounds

3,3-dimethyl-1-oxa-8-azaspiro[4.5]decan-7-one
CID 132549867
2-oxo-8-propan-2-yl-1-oxaspiro[4.5]decane-3-carboxylic acid
CID 71446662
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
4,5-dihydroxy-4-(hydroxymethyl)-5-(1-methyl-4-propan-2-ylcyclohexyl)-1,3-dioxolan-2-one
CID 140561090
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
6-bromo-4'-propan-2-ylspiro[3H-chromene-2,1'-cycloheptane]-4-one
CID 114674282
8-hydroxy-3,3-dimethyl-1-oxaspiro[4.5]decan-2-one
CID 148805131
1-bromo-1-methyl-4-propan-2-ylcyclohexane
CID 90475813
N-(1-methyl-4-propan-2-ylcyclohexyl)acetamide
CID 146393556
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
6-methyl-6-propan-2-yl-4-oxaspiro[2.4]heptane
CID 144747193
1,1-dimethyl-8-propan-2-yl-2-azaspiro[4.6]undecan-3-one
CID 66107206

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one?
The IUPAC name of 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one (CID 160842776) is 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one.
What is the SMILES notation for 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one?
The canonical SMILES for 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one is CC(C)C1CCC2(CC1)CC(C)(C)CO2.CC(C)C1CCC2(CC1)CC(C)(C)OC2=O.
What is the InChIKey of 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one?
The InChIKey is SIGBYBGWQOJVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2.C14H26O/c1-10(2)11-5-7-14(8-6-11)9-13(3,4)16-12(14)15;1-11(2)12-5-7-14(8-6-12)9-13(3,4)10-15-14/h10-11H,5-9H2,1-4H3;11-12H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one?
3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one has a molecular weight of 434.71 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-propan-2-yl-1-oxaspiro[4.5]decane;3,3-dimethyl-8-propan-2-yl-2-oxaspiro[4.5]decan-1-one is sourced from PubChem (CID 160842776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).