(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]

C13H20O2 — CID 15455778

IUPAC(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
SMILESCC1=CC[C@@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C13H20O2/c1-10-4-5-12-11(9-10)3-2-6-13(12)14-7-8-15-13/h4,11-12H,2-3,5-9H2,1H3/t11-,12+/m0/s1
InChIKeyDJYUZXHBYOBLBC-NWDGAFQWSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds

About (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]

(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] (PubChem CID 15455778) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene].

Molecular Properties

Compound Name(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
PubChem CID15455778
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
SMILESCC1=CC[C@@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C13H20O2/c1-10-4-5-12-11(9-10)3-2-6-13(12)14-7-8-15-13/h4,11-12H,2-3,5-9H2,1H3/t11-,12+/m0/s1
InChIKeyDJYUZXHBYOBLBC-NWDGAFQWSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxolane, 2-[6-methyl-8-(1-methylethyl)bicyclo[2.2.2]oct-5-en-2-yl]-
CID 111418
2-(7-Isopropyl-5-methylbicyclo(2.2.2)oct-5-en-2-yl)-1,3-dioxolane
CID 44152860
(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,6,7-trimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11075427
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
[(4aR,8aS)-7-methylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]-4a-yl]methanol
CID 13260714
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
(8'aS,10'aS)-spiro[1,3-dioxolane-2,8'-2,3,4,5,6,7,8a,10a-octahydro-1H-anthracene]
CID 134832764
2-[2-[(1S,4aR)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-2-methyl-1,3-dioxolane
CID 134970790
(2R,8R,8aS)-8,8a-dimethyl-2-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,3,5,7,8-hexahydronaphthalene-6,2'-1,3-dioxolane]
CID 134979581

Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The IUPAC name of (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] (CID 15455778) is (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene].
What is the SMILES notation for (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The canonical SMILES for (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] is CC1=CC[C@@H]2[C@@H](CCCC23OCCO3)C1.
What is the InChIKey of (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The InChIKey is DJYUZXHBYOBLBC-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20O2/c1-10-4-5-12-11(9-10)3-2-6-13(12)14-7-8-15-13/h4,11-12H,2-3,5-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
(4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] has a molecular weight of 208.30 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aR,8'aS)-7'-methylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] is sourced from PubChem (CID 15455778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).