spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]

C16H20O2 — CID 91039191

IUPACspiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]
SMILESC1=CC2=CC=C3CC4(CCC3C2CC1)OCCO4
InChIInChI=1S/C16H20O2/c1-2-4-14-12(3-1)5-6-13-11-16(8-7-15(13)14)17-9-10-18-16/h1,3,5-6,14-15H,2,4,7-11H2
InChIKeySSHXHTHKVUXHNC-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.36
Rot. Bonds

About spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]

spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] (PubChem CID 91039191) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]
PubChem CID91039191
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namespiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]
SMILESC1=CC2=CC=C3CC4(CCC3C2CC1)OCCO4
InChIInChI=1S/C16H20O2/c1-2-4-14-12(3-1)5-6-13-11-16(8-7-15(13)14)17-9-10-18-16/h1,3,5-6,14-15H,2,4,7-11H2
InChIKeySSHXHTHKVUXHNC-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] with MolForge

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Related Compounds

8-[(4-Fluorocyclohexa-1,5-dien-1-yl)methyl]-1,4-dioxaspiro[4.5]decane
CID 143476806
8-[4-[(2E,4Z)-2-fluoro-4-(4-pentylcyclohexyl)hexa-2,4-dienyl]cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 143901361
7'-(3,5-difluorocyclohexyl)spiro[1,3-dioxolane-2,3'-2,4,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 145786235
(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
CID 134832764
2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane
CID 134982266
8-[(2R)-6-methylhept-5-en-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 155935847
6-(1-Cyclohexen-1-yl)-1,4-dioxaspiro[4.5]decane
CID 92658
8-[4-(3-Fluoropropylidene)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 144462564
(4aS,8aR)-4a,8-dimethylspiro[1,2,4,8a-tetrahydronaphthalene-3,2'-1,3-dioxolane]
CID 10680460
(3aR)-11b-methoxy-3a,6-dimethylspiro[1,2,3,4,7,9,10,10a,11,11a-decahydrocyclopenta[a]anthracene-8,2'-1,3-dioxolane]
CID 18635399
8-[4-(2,3-Difluorobenzene-4-id-1-yl)cyclohex-3-en-1-yl]-1,4-dioxaspiro[4.5]decane;rubidium(1+)
CID 57598851
8-[4-(2,3-Dimethylbenzene-4-id-1-yl)cyclohexyl]-1,4-dioxaspiro[4.5]decane;rubidium(1+)
CID 57793063

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]?
The IUPAC name of spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] (CID 91039191) is spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene].
What is the SMILES notation for spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]?
The canonical SMILES for spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] is C1=CC2=CC=C3CC4(CCC3C2CC1)OCCO4.
What is the InChIKey of spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]?
The InChIKey is SSHXHTHKVUXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-4-14-12(3-1)5-6-13-11-16(8-7-15(13)14)17-9-10-18-16/h1,3,5-6,14-15H,2,4,7-11H2.
What are the key properties of spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene]?
spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] has a molecular weight of 244.33 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,2'-3,4,4a,4b,5,6-hexahydro-1H-phenanthrene] is sourced from PubChem (CID 91039191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).