(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]

C16H26O2 — CID 11043180

IUPAC(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]
SMILESCC1=C(C)C[C@@H]2[C@@H](CCCC23O[C@H](C)[C@@H](C)O3)C1
InChIInChI=1S/C16H26O2/c1-10-8-14-6-5-7-16(15(14)9-11(10)2)17-12(3)13(4)18-16/h12-15H,5-9H2,1-4H3/t12-,13-,14+,15-/m1/s1
InChIKeyBYXGIAUGIRWLSU-APIJFGDWSA-N
MW250.38 g/mol
LogP4.05
Rot. Bonds

About (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]

(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] (PubChem CID 11043180) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (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].

Molecular Properties

Compound Name(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]
PubChem CID11043180
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(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]
SMILESCC1=C(C)C[C@@H]2[C@@H](CCCC23O[C@H](C)[C@@H](C)O3)C1
InChIInChI=1S/C16H26O2/c1-10-8-14-6-5-7-16(15(14)9-11(10)2)17-12(3)13(4)18-16/h12-15H,5-9H2,1-4H3/t12-,13-,14+,15-/m1/s1
InChIKeyBYXGIAUGIRWLSU-APIJFGDWSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (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] with MolForge

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Related Compounds

(4R)-4-[(2S,4bS,8aS)-2,4b,8,8-tetramethyl-3,4,5,6,7,8a,9,10-octahydro-1H-phenanthren-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 163193706
(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
(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
(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
CID 134832764
(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 134979833
3-Isopropylidene-7,7-ethylenedioxy-decalin
CID 567543
2-methyl-2-(4-methylpent-3-enyl)-4-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-1,3-dioxolane
CID 44466970
(8'aS)-7'-(methoxymethoxy)-8'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 68307809
(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-ylspiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 143311552
ethane;7'-prop-2-enylspiro[1,3-dioxolane-2,4'-2,3,4a,5,6,8a-hexahydro-1H-naphthalene]
CID 143399772

Frequently Asked Questions

What is the IUPAC name of (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]?
The IUPAC name of (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) is (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].
What is the SMILES notation for (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]?
The canonical SMILES for (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] is CC1=C(C)C[C@@H]2[C@@H](CCCC23O[C@H](C)[C@@H](C)O3)C1.
What is the InChIKey of (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]?
The InChIKey is BYXGIAUGIRWLSU-APIJFGDWSA-N. The full InChI is InChI=1S/C16H26O2/c1-10-8-14-6-5-7-16(15(14)9-11(10)2)17-12(3)13(4)18-16/h12-15H,5-9H2,1-4H3/t12-,13-,14+,15-/m1/s1.
What are the key properties of (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]?
(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] has a molecular weight of 250.38 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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] is sourced from PubChem (CID 11043180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).