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

C13H20O3 — CID 567532

IUPACspiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
SMILESOCC12CCCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C13H20O3/c14-10-12-4-2-1-3-11(12)9-13(6-5-12)15-7-8-16-13/h3,14H,1-2,4-10H2
InChIKeyWCIRKKDPLNXGGU-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.00
Rot. Bonds1

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

spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol (PubChem CID 567532) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol.

Molecular Properties

Compound Namespiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
PubChem CID567532
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namespiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
SMILESOCC12CCCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C13H20O3/c14-10-12-4-2-1-3-11(12)9-13(6-5-12)15-7-8-16-13/h3,14H,1-2,4-10H2
InChIKeyWCIRKKDPLNXGGU-UHFFFAOYSA-N
XLogP2.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.00
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

8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 102215184
methyl spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-carboxylate
CID 12036758
(8'aR)-8'a-methylspiro[1,3-dioxolane-2,6'-3,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 11183650
1,5-dioxaspiro[5.5]undec-9-en-10-ylmethanol
CID 176671831
[8-(6-chloro-2-pyridinyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 166020647
(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
CID 10849980
[2-(cyclopenten-1-yl)-3H-furan-2-yl]methanol
CID 70488488
(1',4'a-dimethylspiro[1,3-dioxolane-2,2'-3,4,6,7,8,9,10,10a-octahydro-1H-phenanthrene]-8'a-yl)methanol
CID 144717053
CID 13370497
CID 13370497
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
(8S,9S,10R,13S,14R,17R)-17-hydroxy-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11-one
CID 125036426
(8'S,10'S,13'S,14'S,17'R)-17'-hydroxy-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene]-17'-carbonitrile
CID 13038599

Frequently Asked Questions

What is the IUPAC name of spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol?
The IUPAC name of spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol (CID 567532) is spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol.
What is the SMILES notation for spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol?
The canonical SMILES for spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol is OCC12CCCC=C1CC1(CC2)OCCO1.
What is the InChIKey of spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol?
The InChIKey is WCIRKKDPLNXGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-10-12-4-2-1-3-11(12)9-13(6-5-12)15-7-8-16-13/h3,14H,1-2,4-10H2.
What are the key properties of spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol?
spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol has a molecular weight of 224.30 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol is sourced from PubChem (CID 567532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).