7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]

C15H24O2 — CID 567543

IUPAC7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]
SMILESCC(C)=C1CCC2CC3(CCC2C1)OCCO3
InChIInChI=1S/C15H24O2/c1-11(2)12-3-4-14-10-15(16-7-8-17-15)6-5-13(14)9-12/h13-14H,3-10H2,1-2H3
InChIKeyNLUQAUUCFSLKNF-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds

About 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]

7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane] (PubChem CID 567543) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane].

Molecular Properties

Compound Name7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]
PubChem CID567543
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]
SMILESCC(C)=C1CCC2CC3(CCC2C1)OCCO3
InChIInChI=1S/C15H24O2/c1-11(2)12-3-4-14-10-15(16-7-8-17-15)6-5-13(14)9-12/h13-14H,3-10H2,1-2H3
InChIKeyNLUQAUUCFSLKNF-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
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

(2'R,4'aR,8'aS)-2',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 76764548
(4R,4'aR,5R,8'aS)-4,5,6',7'-tetramethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 11043180
(4aR,8aS)-4a,6,7-trimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11075427
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 15455778
(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 134979833
(1R,4aS,8aR)-1-ethenyl-4-methylidenespiro[1,2,3,4a,5,6,8,8a-octahydronaphthalene-7,2'-1,3-dioxolane]
CID 101607645
8-(4-Cyclopentylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
CID 118119046
8-(4-Cyclobutylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
CID 118423723
(Z)-8-(3-methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
CID 118679001
8-(4-(2-Methylpropylidene)cyclohexyl)-1,4-dioxaspiro[4.5]decane
CID 118679006
8-(3-Methyl-4-propylidenecyclohexyl)-1,4-dioxaspiro[4.5]decane
CID 131745932

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]?
The IUPAC name of 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane] (CID 567543) is 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane].
What is the SMILES notation for 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]?
The canonical SMILES for 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane] is CC(C)=C1CCC2CC3(CCC2C1)OCCO3.
What is the InChIKey of 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]?
The InChIKey is NLUQAUUCFSLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)12-3-4-14-10-15(16-7-8-17-15)6-5-13(14)9-12/h13-14H,3-10H2,1-2H3.
What are the key properties of 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane]?
7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane] has a molecular weight of 236.35 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-ylidenespiro[1,2,4,4a,5,6,8,8a-octahydronaphthalene-3,2'-1,3-dioxolane] is sourced from PubChem (CID 567543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).