spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one

C12H16O3 — CID 10081784

IUPACspiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CCC3(CC2CC1)OCCO3
InChIInChI=1S/C12H16O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h7,10H,1-6,8H2
InChIKeyKTKHEAZWKQQKLW-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one

spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one (PubChem CID 10081784) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one
PubChem CID10081784
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Namespiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one
SMILESO=C1C=C2CCC3(CC2CC1)OCCO3
InChIInChI=1S/C12H16O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h7,10H,1-6,8H2
InChIKeyKTKHEAZWKQQKLW-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-(Ethylenedioxy)-4a-methyl-2,3,4,4a,5,6,7,8-octahydronaphtalen-2-one
CID 10922101
(R)-Spiro[1,3-dioxolane-2,1'(2'H)-naphthalen]-6'(5'H)-one, 3',7',8',8'A-tetrahydro-8'A-methyl-
CID 10922104
(4'aS)-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 12373743
1,4-Dioxadispiro[4.1.57.35]pentadec-8-en-10-one
CID 85988981
4'a-prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 359242
7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one
CID 359514
7-Prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 10878069
(4'aR)-1',4'a-dimethylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10933480
(4'aS,8'aS)-4',8'a-dimethylspiro[1,3-dioxolane-2,6'-4a,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 14315381
5-(1,3-Dioxolan-2-yl)-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 75048510
4'a-methylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 134859275
4-Methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclohex-2-en-1-one
CID 135016162

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one (CID 10081784) is spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one is O=C1C=C2CCC3(CC2CC1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one?
The InChIKey is KTKHEAZWKQQKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c13-11-2-1-10-8-12(14-5-6-15-12)4-3-9(10)7-11/h7,10H,1-6,8H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one?
spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one has a molecular weight of 208.26 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydronaphthalene]-2'-one is sourced from PubChem (CID 10081784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).