8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]

C13H20O2 — CID 25058445

IUPAC8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
SMILESCC12CCC=C1CCC1(CC2)OCCO1
InChIInChI=1S/C13H20O2/c1-12-5-2-3-11(12)4-6-13(8-7-12)14-9-10-15-13/h3H,2,4-10H2,1H3
InChIKeyQULYAUHQMIAGMU-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.03
Rot. Bonds

About 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]

8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] (PubChem CID 25058445) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane].

Molecular Properties

Compound Name8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
PubChem CID25058445
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
SMILESCC12CCC=C1CCC1(CC2)OCCO1
InChIInChI=1S/C13H20O2/c1-12-5-2-3-11(12)4-6-13(8-7-12)14-9-10-15-13/h3H,2,4-10H2,1H3
InChIKeyQULYAUHQMIAGMU-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] with MolForge

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
CID 75219741
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
CID 134900981
2-[2-[2,2-Dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
CID 134982650
2-(1,4-Dimethylcyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
CID 134992232
(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
CID 135036827

Frequently Asked Questions

What is the IUPAC name of 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]?
The IUPAC name of 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] (CID 25058445) is 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane].
What is the SMILES notation for 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]?
The canonical SMILES for 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] is CC12CCC=C1CCC1(CC2)OCCO1.
What is the InChIKey of 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]?
The InChIKey is QULYAUHQMIAGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12-5-2-3-11(12)4-6-13(8-7-12)14-9-10-15-13/h3H,2,4-10H2,1H3.
What are the key properties of 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]?
8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] has a molecular weight of 208.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane] is sourced from PubChem (CID 25058445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).