4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]

C15H26O — CID 91196169

IUPAC4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
SMILESCC1C2(CCC3C(C)(C)CCCC31C)CO2
InChIInChI=1S/C15H26O/c1-11-14(4)8-5-7-13(2,3)12(14)6-9-15(11)10-16-15/h11-12H,5-10H2,1-4H3
InChIKeyHZTCHNUNEIIMDY-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.02
Rot. Bonds

About 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]

4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] (PubChem CID 91196169) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane].

Molecular Properties

Compound Name4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
PubChem CID91196169
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
SMILESCC1C2(CCC3C(C)(C)CCCC31C)CO2
InChIInChI=1S/C15H26O/c1-11-14(4)8-5-7-13(2,3)12(14)6-9-15(11)10-16-15/h11-12H,5-10H2,1-4H3
InChIKeyHZTCHNUNEIIMDY-UHFFFAOYSA-N
XLogP4.02
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] with MolForge

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Related Compounds

(4'aS,8'aS)-4',4',8',8'a-tetramethylspiro[1,2,4-trioxolane-3,7'-2,3,4a,5,6,8-hexahydro-1H-naphthalene]
CID 170207977
(4aS,7R,8R,8aS)-8-but-3-enyl-4,4,8a-trimethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]
CID 100923260
(4aR,10aS,10bR)-3,3,4a,7,7,10a-hexamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
CID 134865617
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
(4aS,7R,8S,8aS)-4,4,7,8,8a-pentamethyl-7-propoxy-2,3,4a,5,6,8-hexahydro-1H-naphthalene
CID 134556864
(2E)-2-[2-[(1R,2S,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]butanedial
CID 5316650
(4aR,6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 15600013
3,4a,7,7,10a-pentamethyl-1,2,3,5,6,6a,8,9,10,10b-decahydrobenzo[f]chromene
CID 619276
1-[(9aS,9bR)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]ethanone
CID 59886602
(1R,4S,9S,10R,12R)-5,5,9-trimethyl-12-prop-2-enyl-13-oxatetracyclo[8.4.0.01,12.04,9]tetradecane
CID 11119291
(1S,4R,9R,10S,13S,14R,16S)-5,5,9,13-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane
CID 163016119

Frequently Asked Questions

What is the IUPAC name of 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]?
The IUPAC name of 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] (CID 91196169) is 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane].
What is the SMILES notation for 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]?
The canonical SMILES for 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] is CC1C2(CCC3C(C)(C)CCCC31C)CO2.
What is the InChIKey of 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]?
The InChIKey is HZTCHNUNEIIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11-14(4)8-5-7-13(2,3)12(14)6-9-15(11)10-16-15/h11-12H,5-10H2,1-4H3.
What are the key properties of 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane]?
4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] has a molecular weight of 222.37 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,8a-tetramethylspiro[2,3,4a,5,6,8-hexahydro-1H-naphthalene-7,2'-oxirane] is sourced from PubChem (CID 91196169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).