1,2-dimethylspiro[2.4]heptane

C9H16 — CID 58548907

IUPAC1,2-dimethylspiro[2.4]heptane
SMILESCC1C(C)C12CCCC2
InChIInChI=1S/C9H16/c1-7-8(2)9(7)5-3-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyFILJXCGCSUTZCI-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds

About 1,2-dimethylspiro[2.4]heptane

1,2-dimethylspiro[2.4]heptane (PubChem CID 58548907) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1,2-dimethylspiro[2.4]heptane.

Molecular Properties

Compound Name1,2-dimethylspiro[2.4]heptane
PubChem CID58548907
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1,2-dimethylspiro[2.4]heptane
SMILESCC1C(C)C12CCCC2
InChIInChI=1S/C9H16/c1-7-8(2)9(7)5-3-4-6-9/h7-8H,3-6H2,1-2H3
InChIKeyFILJXCGCSUTZCI-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
CID 163904880
1,2,6-trimethylspiro[2.4]heptane
CID 123183171
11-methylspiro[5.5]undecan-5-amine
CID 138665061
dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
1,1-di(cyclooctyl)cyclooctane
CID 23107007
(2S,3S)-2,3-dimethylspiro[4.4]nonane
CID 58622704
2-methylspiro[2.4]heptan-7-amine
CID 146817135
8-ethyl-1-methyl-2-propylspiro[2.7]decane
CID 123742873
2-(bromomethyl)-8-methylspiro[2.5]octane
CID 81351055

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylspiro[2.4]heptane?
The IUPAC name of 1,2-dimethylspiro[2.4]heptane (CID 58548907) is 1,2-dimethylspiro[2.4]heptane.
What is the SMILES notation for 1,2-dimethylspiro[2.4]heptane?
The canonical SMILES for 1,2-dimethylspiro[2.4]heptane is CC1C(C)C12CCCC2.
What is the InChIKey of 1,2-dimethylspiro[2.4]heptane?
The InChIKey is FILJXCGCSUTZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-8(2)9(7)5-3-4-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-dimethylspiro[2.4]heptane?
1,2-dimethylspiro[2.4]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylspiro[2.4]heptane is sourced from PubChem (CID 58548907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).