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

C14H22O2 — CID 134979833

IUPAC(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
SMILESCC1=C(C)C[C@@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C14H22O2/c1-10-8-12-4-3-5-14(15-6-7-16-14)13(12)9-11(10)2/h12-13H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNFPIBVYYTSPGJZ-QWHCGFSZSA-N
MW222.33 g/mol
LogP3.28
Rot. Bonds

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

(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] (PubChem CID 134979833) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene].

Molecular Properties

Compound Name(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
PubChem CID134979833
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
SMILESCC1=C(C)C[C@@H]2[C@@H](CCCC23OCCO3)C1
InChIInChI=1S/C14H22O2/c1-10-8-12-4-3-5-14(15-6-7-16-14)13(12)9-11(10)2/h12-13H,3-9H2,1-2H3/t12-,13+/m0/s1
InChIKeyNFPIBVYYTSPGJZ-QWHCGFSZSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.28
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

(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
(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
(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
2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane
CID 134965943
3-Isopropylidene-7,7-ethylenedioxy-decalin
CID 567543
(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
(4aR,8aS)-4a,8-dimethylspiro[1,2,4,5,6,8a-hexahydronaphthalene-3,2'-1,3-dioxolane]
CID 10513246

Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The IUPAC name of (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] (CID 134979833) is (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene].
What is the SMILES notation for (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The canonical SMILES for (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] is CC1=C(C)C[C@@H]2[C@@H](CCCC23OCCO3)C1.
What is the InChIKey of (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
The InChIKey is NFPIBVYYTSPGJZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22O2/c1-10-8-12-4-3-5-14(15-6-7-16-14)13(12)9-11(10)2/h12-13H,3-9H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]?
(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] has a molecular weight of 222.33 g/mol, XLogP of 3.28, 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)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene] is sourced from PubChem (CID 134979833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).