(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol

C11H18O3 — CID 102125811

IUPAC(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
SMILESO[C@@]12CCCC1C1(CCC2)OCCO1
InChIInChI=1S/C11H18O3/c12-10-4-1-3-9(10)11(6-2-5-10)13-7-8-14-11/h9,12H,1-8H2/t9?,10-/m1/s1
InChIKeyDBHJBOZGYKUBBS-QVDQXJPCSA-N
MW198.26 g/mol
LogP1.44
Rot. Bonds

About (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol

(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol (PubChem CID 102125811) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol.

Molecular Properties

Compound Name(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
PubChem CID102125811
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
SMILESO[C@@]12CCCC1C1(CCC2)OCCO1
InChIInChI=1S/C11H18O3/c12-10-4-1-3-9(10)11(6-2-5-10)13-7-8-14-11/h9,12H,1-8H2/t9?,10-/m1/s1
InChIKeyDBHJBOZGYKUBBS-QVDQXJPCSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
CID 134917059
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943
5-nitrospiro[1,2,3,4,5,6,7,8a-octahydronaphthalene-8,2'-1,3-dioxolane]-4a-ol
CID 559734
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
spiro[1,3-dioxolane-2,2'-7-oxabicyclo[4.1.0]heptane]
CID 10953761
7-(methylamino)-1,4-dioxaspiro[4.5]decan-6-ol
CID 23315500
2-[(4'aR,4'bR,8'aR,10'aS)-4'a-(1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,1'-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene]-8'a-yl]ethanol
CID 101165614
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
1-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167316856
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
(2'R,4'aR,4'bR,8'aS)-4'b-(1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,8'-2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene]-2'-ol
CID 11382114

Frequently Asked Questions

What is the IUPAC name of (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol?
The IUPAC name of (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol (CID 102125811) is (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol.
What is the SMILES notation for (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol?
The canonical SMILES for (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol is O[C@@]12CCCC1C1(CCC2)OCCO1.
What is the InChIKey of (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol?
The InChIKey is DBHJBOZGYKUBBS-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H18O3/c12-10-4-1-3-9(10)11(6-2-5-10)13-7-8-14-11/h9,12H,1-8H2/t9?,10-/m1/s1.
What are the key properties of (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol?
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol has a molecular weight of 198.26 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol is sourced from PubChem (CID 102125811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).