(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]

C18H30O2 — CID 10880439

IUPAC(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]
SMILESC=C[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H](C)CC3(C[C@@H]12)OCCO3
InChIInChI=1S/C18H30O2/c1-6-16(4)13(2)7-8-17(5)14(3)11-18(12-15(16)17)19-9-10-20-18/h6,13-15H,1,7-12H2,2-5H3/t13-,14+,15+,16+,17+/m1/s1
InChIKeyVLAXVGHUTXDUFM-XAJHFOFHSA-N
MW278.44 g/mol
LogP4.40
Rot. Bonds1

About (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]

(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] (PubChem CID 10880439) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene].

Molecular Properties

Compound Name(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]
PubChem CID10880439
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]
SMILESC=C[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H](C)CC3(C[C@@H]12)OCCO3
InChIInChI=1S/C18H30O2/c1-6-16(4)13(2)7-8-17(5)14(3)11-18(12-15(16)17)19-9-10-20-18/h6,13-15H,1,7-12H2,2-5H3/t13-,14+,15+,16+,17+/m1/s1
InChIKeyVLAXVGHUTXDUFM-XAJHFOFHSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] with MolForge

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Related Compounds

ethyl (E)-5-[(1'S,2'R,4'aS,5'S,8'aS)-1',2',4'a,5'-tetramethylspiro[1,3-dioxolane-2,7'-3,4,5,6,8,8a-hexahydro-2H-naphthalene]-1'-yl]-3-methylpent-2-enoate
CID 10971238
(4aR,7R,8S,8aR)-8-ethenyl-7,8-dimethyl-3-oxo-2,4,5,6,7,8a-hexahydro-1H-naphthalene-4a-carbonitrile
CID 10399017
(3aR,7R,7aS)-7,7a-dimethylspiro[1,3,3a,4,6,7-hexahydroindene-5,2'-1,3-dioxolane]-2-one
CID 15226618
1-[(4R,5R,7aS)-7a-ethenyl-4,5-dimethylspiro[1,2,3a,5,6,7-hexahydroindene-3,2'-1,3-dioxolane]-4-yl]ethanone
CID 153280879
(3aS,5aR,7S,9aR)-3a,6,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 67917658
(3aS,5aS,7S,9bS)-3a,6,6,7,9a-pentamethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 67917599
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851
2-ethenyl-2,3-dimethylcyclohexan-1-ol
CID 14604704
7-ethenyl-1,4-dioxaspiro[4.5]decane
CID 69192706
9-ethenyl-7,7-dimethyl-1,4-dioxaspiro[4.5]decane
CID 14172406
[(7R,9R)-7,9-dimethyl-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 94037522
8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842

Frequently Asked Questions

What is the IUPAC name of (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]?
The IUPAC name of (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] (CID 10880439) is (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene].
What is the SMILES notation for (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]?
The canonical SMILES for (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] is C=C[C@@]1(C)[C@H](C)CC[C@@]2(C)[C@@H](C)CC3(C[C@@H]12)OCCO3.
What is the InChIKey of (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]?
The InChIKey is VLAXVGHUTXDUFM-XAJHFOFHSA-N. The full InChI is InChI=1S/C18H30O2/c1-6-16(4)13(2)7-8-17(5)14(3)11-18(12-15(16)17)19-9-10-20-18/h6,13-15H,1,7-12H2,2-5H3/t13-,14+,15+,16+,17+/m1/s1.
What are the key properties of (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene]?
(3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] has a molecular weight of 278.44 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3'R,4'S,4'aR,8'S,8'aS)-4'-ethenyl-3',4',8',8'a-tetramethylspiro[1,3-dioxolane-2,6'-2,3,4a,5,7,8-hexahydro-1H-naphthalene] is sourced from PubChem (CID 10880439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).