8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]

C14H20O2 — CID 102215184

IUPAC8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=CC12CCCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C14H20O2/c1-2-13-6-4-3-5-12(13)11-14(8-7-13)15-9-10-16-14/h2,5H,1,3-4,6-11H2
InChIKeyISRUSBKKHLJHLO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.20
Rot. Bonds1

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

8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] (PubChem CID 102215184) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
PubChem CID102215184
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
SMILESC=CC12CCCC=C1CC1(CC2)OCCO1
InChIInChI=1S/C14H20O2/c1-2-13-6-4-3-5-12(13)11-14(8-7-13)15-9-10-16-14/h2,5H,1,3-4,6-11H2
InChIKeyISRUSBKKHLJHLO-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

spiro[1,3,4,5,6,7-hexahydronaphthalene-2,2'-1,3-dioxolane]-4a-ylmethanol
CID 567532
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
(7E)-7-(bromomethyl)-1,4-dioxaspiro[4.8]tridec-7-ene
CID 10849980
8-prop-2-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13213608
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 71344896
7-methylidene-1,4-dioxaspiro[4.8]tridecane
CID 10750402
(8S,9S,10R,13S,14S)-10,13-dimethylspiro[1,2,4,7,8,9,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]
CID 70517972
8-ethenyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10261708
8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 11593711
(2S,3aS,4Z,9aS)-2-ethenylspiro[1,2,3,3a,6,7,8,9a-octahydrocyclopenta[8]annulene-9,2'-1,3-dioxolane]
CID 15855620
1-[(8R,9S,10R,13S,14S)-10,13-dimethylspiro[1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]ethanone
CID 131882874

Frequently Asked Questions

What is the IUPAC name of 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The IUPAC name of 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] (CID 102215184) is 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane].
What is the SMILES notation for 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The canonical SMILES for 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] is C=CC12CCCC=C1CC1(CC2)OCCO1.
What is the InChIKey of 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
The InChIKey is ISRUSBKKHLJHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-13-6-4-3-5-12(13)11-14(8-7-13)15-9-10-16-14/h2,5H,1,3-4,6-11H2.
What are the key properties of 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]?
8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] has a molecular weight of 220.31 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethenylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane] is sourced from PubChem (CID 102215184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).