1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane

C12H22 — CID 123955120

IUPAC1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane
SMILESCCC(CC)C1C(C)C12CC2C
InChIInChI=1S/C12H22/c1-5-10(6-2)11-9(4)12(11)7-8(12)3/h8-11H,5-7H2,1-4H3
InChIKeyLFRZQLIZCDPGSS-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds3

About 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane

1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane (PubChem CID 123955120) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane.

Molecular Properties

Compound Name1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane
PubChem CID123955120
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane
SMILESCCC(CC)C1C(C)C12CC2C
InChIInChI=1S/C12H22/c1-5-10(6-2)11-9(4)12(11)7-8(12)3/h8-11H,5-7H2,1-4H3
InChIKeyLFRZQLIZCDPGSS-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-5,8-dimethyl-7-pentan-3-ylspiro[3.4]octane
CID 91053391
1-ethyl-1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 91358299
2-methyl-1-(2-methylbutyl)cyclopropan-1-ol
CID 114876636
1-(3-ethylpentyl)-1,2-dimethylcyclopropane
CID 123883957
2-methyl-1-pentan-3-ylcyclopropan-1-ol
CID 79332194
1,3-dimethyl-2-pentan-3-ylcyclopentane
CID 123708942
2'-methylspiro[adamantane-2,1'-cyclopropane]
CID 91748046
pentan-3-ylcyclopropane
CID 19042038
5-ethyl-1,2,7-trimethylspiro[2.4]heptane
CID 123662454
1-(2-hydroxyethyl)-2-methylcyclopropan-1-ol
CID 56622517
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711
1-ethyl-1,2-dimethylcyclopropane
CID 524629

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane?
The IUPAC name of 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane (CID 123955120) is 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane.
What is the SMILES notation for 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane?
The canonical SMILES for 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane is CCC(CC)C1C(C)C12CC2C.
What is the InChIKey of 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane?
The InChIKey is LFRZQLIZCDPGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-10(6-2)11-9(4)12(11)7-8(12)3/h8-11H,5-7H2,1-4H3.
What are the key properties of 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane?
1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-pentan-3-ylspiro[2.2]pentane is sourced from PubChem (CID 123955120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).