(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]

C16H22O2 — CID 134832764

IUPAC(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
SMILESC1=C2CCCCC2=C[C@@H]2[C@H]1CCCC21OCCO1
InChIInChI=1S/C16H22O2/c1-2-5-13-11-15-14(10-12(13)4-1)6-3-7-16(15)17-8-9-18-16/h10-11,14-15H,1-9H2/t14-,15+/m0/s1
InChIKeyHXIFEUXZHIELLV-LSDHHAIUSA-N
MW246.35 g/mol
LogP3.59
Rot. Bonds

About (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]

(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] (PubChem CID 134832764) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene].

Molecular Properties

Compound Name(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
PubChem CID134832764
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
SMILESC1=C2CCCCC2=C[C@@H]2[C@H]1CCCC21OCCO1
InChIInChI=1S/C16H22O2/c1-2-5-13-11-15-14(10-12(13)4-1)6-3-7-16(15)17-8-9-18-16/h10-11,14-15H,1-9H2/t14-,15+/m0/s1
InChIKeyHXIFEUXZHIELLV-LSDHHAIUSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] with MolForge

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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
7'-(3,5-difluorocyclohexyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 145786235
(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,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
[(8'aS,10'aS)-10'-trimethylsilylspiro[1,3-dioxolane-2,5'-2,3,4,6,7,8,8a,10a-octahydro-1H-anthracene]-9'-yl]-trimethylsilane
CID 101514008
(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 134979833
(4AS,5S,8AS)-(-)-5beta,8Abeta-dimethyl-5aalpha-(4-methyl-3-pentenyl)-3,4,4A,5,6,7,8,8A-octahydronaphthalen-1(2H)-one
CID 14061227
(6'aS,7'S,10'aS,10'bS)-7'-methoxy-7'-(methoxymethyl)-6'a-methylspiro[1,3-dioxolane-2,2'-3,4,6,8,9,10,10a,10b,11,12-decahydro-1H-chrysene]
CID 57527047
4'b,8',8'-trimethylspiro[1,3-dioxolane-2,7'-2,3,5,6,8a,9,10,10a-octahydro-1H-phenanthrene]
CID 71082019
spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]
CID 91039191
4,8'-dimethylspiro[1,3-dioxolane-2,7'-2,3,4b,5,6,8,8a,9,10,10a-decahydro-1H-phenanthrene];ethane
CID 142265663

Frequently Asked Questions

What is the IUPAC name of (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]?
The IUPAC name of (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] (CID 134832764) is (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene].
What is the SMILES notation for (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]?
The canonical SMILES for (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] is C1=C2CCCCC2=C[C@@H]2[C@H]1CCCC21OCCO1.
What is the InChIKey of (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]?
The InChIKey is HXIFEUXZHIELLV-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-5-13-11-15-14(10-12(13)4-1)6-3-7-16(15)17-8-9-18-16/h10-11,14-15H,1-9H2/t14-,15+/m0/s1.
What are the key properties of (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]?
(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] has a molecular weight of 246.35 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene] is sourced from PubChem (CID 134832764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).