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

C11H16O3 — CID 15054252

IUPACspiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol
SMILESOCC1=CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H16O3/c12-7-8-3-9-5-11(6-10(9)4-8)13-1-2-14-11/h3,9-10,12H,1-2,4-7H2
InChIKeyGEYCUGCGWBBPRU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.08
Rot. Bonds1

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

spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol (PubChem CID 15054252) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol
PubChem CID15054252
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namespiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol
SMILESOCC1=CC2CC3(CC2C1)OCCO3
InChIInChI=1S/C11H16O3/c12-7-8-3-9-5-11(6-10(9)4-8)13-1-2-14-11/h3,9-10,12H,1-2,4-7H2
InChIKeyGEYCUGCGWBBPRU-UHFFFAOYSA-N
XLogP1.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5'-ethoxyspiro[1,3-dioxolane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 167120554
[(3'aR,6'aS)-spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-yl] trifluoromethanesulfonate
CID 155087969
2-spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylbenzonitrile
CID 91005429
(3aR,6aR)-4-propan-2-ylidenespiro[1,3,3a,6a-tetrahydropentalene-2,2'-1,3-dioxolane]
CID 11085008
[8-(hydroxymethyl)-7,9-diphenyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 5051864
(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydropentalene-5,2'-1,3-dioxolane]-2-one;(3'aS,6'aR)-spiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]-2'-ol
CID 160614712
(1S,3aR,6aR)-5-(hydroxymethyl)-1-methyl-3,3a,4,6a-tetrahydro-2H-pentalen-1-ol
CID 10702257
[(7R,8R)-7-methyl-1,4-dioxaspiro[4.4]nonan-8-yl]methanol
CID 13089485
acetic acid;[8-(hydroxymethyl)-1,4-dioxaspiro[4.4]nonan-7-yl]methanol
CID 71335460
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
CID 176671831
(3aS,4R,7aR)-6-(hydroxymethyl)spiro[3a,4,5,7a-tetrahydro-1,3-benzodioxole-2,1'-cyclohexane]-4-ol
CID 11207194

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol?
The IUPAC name of spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol (CID 15054252) is spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol is OCC1=CC2CC3(CC2C1)OCCO3.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol?
The InChIKey is GEYCUGCGWBBPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-7-8-3-9-5-11(6-10(9)4-8)13-1-2-14-11/h3,9-10,12H,1-2,4-7H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol?
spiro[1,3-dioxolane-2,5'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol has a molecular weight of 196.25 g/mol, XLogP of 1.08, 1 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'-3a,4,6,6a-tetrahydro-1H-pentalene]-2'-ylmethanol is sourced from PubChem (CID 15054252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).