(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one

C10H14O3 — CID 102310939

IUPAC(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC[C@@]2(C=CC(=O)CO2)O1
InChIInChI=1S/C10H14O3/c1-9(2)5-6-10(13-9)4-3-8(11)7-12-10/h3-4H,5-7H2,1-2H3/t10-/m1/s1
InChIKeyILAHYDBWEIXNKD-SNVBAGLBSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds

About (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one

(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 102310939) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID102310939
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1(C)CC[C@@]2(C=CC(=O)CO2)O1
InChIInChI=1S/C10H14O3/c1-9(2)5-6-10(13-9)4-3-8(11)7-12-10/h3-4H,5-7H2,1-2H3/t10-/m1/s1
InChIKeyILAHYDBWEIXNKD-SNVBAGLBSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 102571161
2-Ethoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101146425
(5R)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175872
(5S)-7-methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 101175873
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310942
7-Methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 15526739
2-Methoxy-2-methyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 51354078
(5R)-7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 100024983
(5S)-7-methoxy-1-oxaspiro[4.5]deca-6,9-dien-8-one
CID 100024985
(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310938
(5R)-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 125480356

Frequently Asked Questions

What is the IUPAC name of (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one (CID 102310939) is (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one is CC1(C)CC[C@@]2(C=CC(=O)CO2)O1.
What is the InChIKey of (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is ILAHYDBWEIXNKD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O3/c1-9(2)5-6-10(13-9)4-3-8(11)7-12-10/h3-4H,5-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one?
(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 102310939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).