7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]

C12H18O2 — CID 75219741

IUPAC7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
SMILESCC12CCC=C1CCCC21OCCO1
InChIInChI=1S/C12H18O2/c1-11-6-2-4-10(11)5-3-7-12(11)13-8-9-14-12/h4H,2-3,5-9H2,1H3
InChIKeyOTACCZYAJOFTHU-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.64
Rot. Bonds

About 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]

7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene] (PubChem CID 75219741) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene].

Molecular Properties

Compound Name7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
PubChem CID75219741
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
SMILESCC12CCC=C1CCCC21OCCO1
InChIInChI=1S/C12H18O2/c1-11-6-2-4-10(11)5-3-7-12(11)13-8-9-14-12/h4H,2-3,5-9H2,1H3
InChIKeyOTACCZYAJOFTHU-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.64
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-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
8a-Methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
CID 25058445
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
1,4-Dioxaspiro[4.5]dec-7-ene, 7,9,9-trimethyl-
CID 10910189
(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
(4aR,8aS)-4a,7-dimethylspiro[1,2,3,5,8,8a-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 13260718
8-Ethylidene-6-(2-methylbut-3-yn-2-yl)-1,4-dioxaspiro[4.5]decane
CID 85418656
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
2-Methyl-2-(1,2,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980617
2-methyl-2-[(1S,6R)-1,2,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991156

Frequently Asked Questions

What is the IUPAC name of 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]?
The IUPAC name of 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene] (CID 75219741) is 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene].
What is the SMILES notation for 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]?
The canonical SMILES for 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene] is CC12CCC=C1CCCC21OCCO1.
What is the InChIKey of 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]?
The InChIKey is OTACCZYAJOFTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11-6-2-4-10(11)5-3-7-12(11)13-8-9-14-12/h4H,2-3,5-9H2,1H3.
What are the key properties of 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]?
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene] has a molecular weight of 194.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene] is sourced from PubChem (CID 75219741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).