spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol

C10H16O3 — CID 76602173

IUPACspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
SMILESOC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H16O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-9,11H,1-6H2
InChIKeyNAXSVVOZXIPRIP-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.91
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol

spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol (PubChem CID 76602173) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
PubChem CID76602173
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namespiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
SMILESOC1CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C10H16O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-9,11H,1-6H2
InChIKeyNAXSVVOZXIPRIP-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3'aS,6'aR)-5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CID 11368129
(1'R,2'S,3'aS,6'aS)-spiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydro-1H-pentalene]-1',2'-diol
CID 90682014
(2-Fluorospiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-yl)methanol
CID 134579834
1,4-Dioxaspiro[4.4]nonane, 7,8-bis(hydroxymethyl)-
CID 593822
5,5-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5'-ol
CID 13247525
1,4-Dioxaspiro[4.4]nonane-7-ethanol
CID 67229388
(3'aalpha,4'alpha,5'beta,6'aalpha)-Hexahydro-5'-((tetrahydro-2H-pyran-2-yl)oxy)spiro(1,3-dioxolane-2,2'(1'H)-pentalene)-4-methanol
CID 56843599
(3'aa,4'a,5',6'aa)-hexahydro-5'-[(tetrahydro-2H-pyran-2-yl)oxy]spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4-methanol
CID 76419601
2,2-Dimethyl-3a,3b,4,5,6,6a,7,7a-octahydropentaleno[1,2-d][1,3]dioxol-5-ol
CID 356025
Cyclopentane, 1-(S)-(2-methyl-1,3-dioxolan-2-yl)-2-(R)-(2-hydroxyethyl)-4-(R)-(2-methoxyethoxymethoxy)-
CID 560113
(1'S,2'S,3'aS,6'aR)-1'-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 130763756
rel-((7R,8R)-1,4-Dioxaspiro[4.4]nonane-7,8-diyl)dimethanol
CID 13235312

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol?
The IUPAC name of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol (CID 76602173) is spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol is OC1CC2CC3(CC2C1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol?
The InChIKey is NAXSVVOZXIPRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-9-3-7-5-10(6-8(7)4-9)12-1-2-13-10/h7-9,11H,1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol?
spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol has a molecular weight of 184.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol is sourced from PubChem (CID 76602173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).