2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one

C10H14O4 — CID 14715018

IUPAC2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(OC(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C10H14O4/c1-6(2)14-9-7(3)8(11)10(9)12-4-5-13-10/h6H,4-5H2,1-3H3
InChIKeySWKOSCOOBGXWAP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one

2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (PubChem CID 14715018) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
PubChem CID14715018
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
SMILESCC1=C(OC(C)C)C2(OCCO2)C1=O
InChIInChI=1S/C10H14O4/c1-6(2)14-9-7(3)8(11)10(9)12-4-5-13-10/h6H,4-5H2,1-3H3
InChIKeySWKOSCOOBGXWAP-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aureonone
CID 6425676
3,4,4-Trimethoxy-2-methylcyclobut-2-en-1-one
CID 10397241
2-methoxy-3,5-dimethyl-6-[(2R)-4-oxooxolan-2-yl]pyran-4-one
CID 10868333
3,4,4-Triethoxy-2-methylcyclobut-2-en-1-one
CID 10954901
2-Ethenyl-3,4,4-triethoxycyclobut-2-en-1-one
CID 121011202
2,6-Dimethyl-5-propan-2-yloxy-1,3-dioxaspiro[3.3]hept-5-en-7-one
CID 53705207
4-Methoxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10725833
1-Propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715017
2-Butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715019
2-Tert-butyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715020
2-Hex-1-ynyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 14715022
1,2-Dimethyl-5,8-dioxaspiro[3.4]oct-1-en-3-one
CID 45083077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The IUPAC name of 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one (CID 14715018) is 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one.
What is the SMILES notation for 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The canonical SMILES for 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is CC1=C(OC(C)C)C2(OCCO2)C1=O.
What is the InChIKey of 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
The InChIKey is SWKOSCOOBGXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-6(2)14-9-7(3)8(11)10(9)12-4-5-13-10/h6H,4-5H2,1-3H3.
What are the key properties of 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one?
2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one has a molecular weight of 198.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-yloxy-5,8-dioxaspiro[3.4]oct-1-en-3-one is sourced from PubChem (CID 14715018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).