7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile

C10H15NO2 — CID 10654993

IUPAC7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
SMILESCC1(C#N)CCCC2(C1)OCCO2
InChIInChI=1S/C10H15NO2/c1-9(8-11)3-2-4-10(7-9)12-5-6-13-10/h2-7H2,1H3
InChIKeyVQYZLQXPTANZBR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.83
Rot. Bonds

About 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile

7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile (PubChem CID 10654993) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
PubChem CID10654993
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
SMILESCC1(C#N)CCCC2(C1)OCCO2
InChIInChI=1S/C10H15NO2/c1-9(8-11)3-2-4-10(7-9)12-5-6-13-10/h2-7H2,1H3
InChIKeyVQYZLQXPTANZBR-UHFFFAOYSA-N
XLogP1.83
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,7R)-2,3,7-trimethyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10798462
7-(1,3-dithian-2-yl)-1,4-dioxaspiro[4.5]decane-7-carbonitrile
CID 10708287
12,12-dimethyl-7,10-dioxadispiro[2.2.46.23]dodecane
CID 175914993
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
2-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)ethanol
CID 121222293
(7S)-7-(methoxymethyl)-7-methyl-1,4-dioxaspiro[4.5]decane
CID 129379894
1,4-dioxaspiro[4.5]decane;ethane
CID 143191896
4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
CID 91600100
3-(7-methyl-1,4-dioxaspiro[4.5]decan-7-yl)propanal
CID 10632335
ethane;1-methylcyclopropane-1-carbonitrile
CID 142227750
(4aS)-spiro[1,2,3,4,5,7,8,8a-octahydronaphthalene-6,2'-1,3-dioxolane]-4a-carbonitrile
CID 44725299
9'-tert-butyl-1',5'-dimethylspiro[1,3-dioxolane-2,3'-9-phosphabicyclo[3.3.1]nonane]
CID 58051253

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile (CID 10654993) is 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile is CC1(C#N)CCCC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile?
The InChIKey is VQYZLQXPTANZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-9(8-11)3-2-4-10(7-9)12-5-6-13-10/h2-7H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile?
7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxaspiro[4.5]decane-7-carbonitrile is sourced from PubChem (CID 10654993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).