1,2,6-trimethylspiro[2.4]heptane

C10H18 — CID 123183171

IUPAC1,2,6-trimethylspiro[2.4]heptane
SMILESCC1CCC2(C1)C(C)C2C
InChIInChI=1S/C10H18/c1-7-4-5-10(6-7)8(2)9(10)3/h7-9H,4-6H2,1-3H3
InChIKeyJYUFLRPTWSMWAW-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About 1,2,6-trimethylspiro[2.4]heptane

1,2,6-trimethylspiro[2.4]heptane (PubChem CID 123183171) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,6-trimethylspiro[2.4]heptane.

Molecular Properties

Compound Name1,2,6-trimethylspiro[2.4]heptane
PubChem CID123183171
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,6-trimethylspiro[2.4]heptane
SMILESCC1CCC2(C1)C(C)C2C
InChIInChI=1S/C10H18/c1-7-4-5-10(6-7)8(2)9(10)3/h7-9H,4-6H2,1-3H3
InChIKeyJYUFLRPTWSMWAW-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,6-trimethylspiro[2.4]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
2,7-dimethylspiro[3.4]octane
CID 142902956
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
7-methyltricyclo[3.3.0.01,4]octane
CID 148884206
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
6,10-dimethylspiro[3.6]decan-3-ol
CID 123417342
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
1-iodo-3-methylcyclopentan-1-ol
CID 142079535
5-methyl-1-azaspiro[2.4]heptane
CID 142790664
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087

Frequently Asked Questions

What is the IUPAC name of 1,2,6-trimethylspiro[2.4]heptane?
The IUPAC name of 1,2,6-trimethylspiro[2.4]heptane (CID 123183171) is 1,2,6-trimethylspiro[2.4]heptane.
What is the SMILES notation for 1,2,6-trimethylspiro[2.4]heptane?
The canonical SMILES for 1,2,6-trimethylspiro[2.4]heptane is CC1CCC2(C1)C(C)C2C.
What is the InChIKey of 1,2,6-trimethylspiro[2.4]heptane?
The InChIKey is JYUFLRPTWSMWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-4-5-10(6-7)8(2)9(10)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1,2,6-trimethylspiro[2.4]heptane?
1,2,6-trimethylspiro[2.4]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethylspiro[2.4]heptane is sourced from PubChem (CID 123183171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).