2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane

C15H24O2 — CID 134965943

IUPAC2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane
SMILESCC1=C(C)C[C@@]2(C3OCCO3)CCCCC2C1
InChIInChI=1S/C15H24O2/c1-11-9-13-5-3-4-6-15(13,10-12(11)2)14-16-7-8-17-14/h13-14H,3-10H2,1-2H3/t13?,15-/m0/s1
InChIKeyCGFQNDHNTYZARP-WUJWULDRSA-N
MW236.35 g/mol
LogP3.67
Rot. Bonds1

About 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane

2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane (PubChem CID 134965943) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane
PubChem CID134965943
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane
SMILESCC1=C(C)C[C@@]2(C3OCCO3)CCCCC2C1
InChIInChI=1S/C15H24O2/c1-11-9-13-5-3-4-6-15(13,10-12(11)2)14-16-7-8-17-14/h13-14H,3-10H2,1-2H3/t13?,15-/m0/s1
InChIKeyCGFQNDHNTYZARP-WUJWULDRSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.67
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
(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
(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
2-(3,4-Dimethyl-cyclohex-3-enyl)-[1,3]dioxolane
CID 13762355
2-(((1S,4aS,8aR)-5,5,8a-trimethyl-2-methylene-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl)methyl)-1,3-dioxolane
CID 127054633
(4'aR,8'aS)-6',7'-dimethylspiro[1,3-dioxolane-2,4'-2,3,4a,5,8,8a-hexahydro-1H-naphthalene]
CID 134979833
2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134980023
2-[(1R,4aS,8aS)-2-ethenyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-1,3-dioxolane
CID 134982266
2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991460
2-Methyl-2-(1,2,3,4-tetramethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134992139

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane?
The IUPAC name of 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane (CID 134965943) is 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane.
What is the SMILES notation for 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane?
The canonical SMILES for 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane is CC1=C(C)C[C@@]2(C3OCCO3)CCCCC2C1.
What is the InChIKey of 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane?
The InChIKey is CGFQNDHNTYZARP-WUJWULDRSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-9-13-5-3-4-6-15(13,10-12(11)2)14-16-7-8-17-14/h13-14H,3-10H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane?
2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane has a molecular weight of 236.35 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS)-6,7-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-yl]-1,3-dioxolane is sourced from PubChem (CID 134965943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).