2-ethyl-6-propan-2-ylspiro[2.4]heptane

C12H22 — CID 123260811

IUPAC2-ethyl-6-propan-2-ylspiro[2.4]heptane
SMILESCCC1CC12CCC(C(C)C)C2
InChIInChI=1S/C12H22/c1-4-11-8-12(11)6-5-10(7-12)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyPPKSAVPRIAJPBG-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds2

About 2-ethyl-6-propan-2-ylspiro[2.4]heptane

2-ethyl-6-propan-2-ylspiro[2.4]heptane (PubChem CID 123260811) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-ethyl-6-propan-2-ylspiro[2.4]heptane.

Molecular Properties

Compound Name2-ethyl-6-propan-2-ylspiro[2.4]heptane
PubChem CID123260811
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-ethyl-6-propan-2-ylspiro[2.4]heptane
SMILESCCC1CC12CCC(C(C)C)C2
InChIInChI=1S/C12H22/c1-4-11-8-12(11)6-5-10(7-12)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyPPKSAVPRIAJPBG-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 39066
2-Ethyl-1,1-dimethylcyclopentane
CID 41123
tert-Butylcyclopentane
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Thujane
CID 79017
Cyclopentane, 3-hexyl-1,1-dimethyl-
CID 544787
(1S,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 12315147
1,1-Dimethyl-2-propyl-cyclopropane
CID 142552
1,1-Dimethyl-2-hexylcyclopropane
CID 142553
3-Ethyl-1,1-dimethylcyclopentane
CID 522009
Cyclopropane, 1-methyl-1-(1-methylethyl)
CID 524891
cis-1,1,2,5-Tetramethyl-cyclopentane
CID 58619855
cis-1,1,2,4-Tetramethylcyclopentane
CID 6427919

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-propan-2-ylspiro[2.4]heptane?
The IUPAC name of 2-ethyl-6-propan-2-ylspiro[2.4]heptane (CID 123260811) is 2-ethyl-6-propan-2-ylspiro[2.4]heptane.
What is the SMILES notation for 2-ethyl-6-propan-2-ylspiro[2.4]heptane?
The canonical SMILES for 2-ethyl-6-propan-2-ylspiro[2.4]heptane is CCC1CC12CCC(C(C)C)C2.
What is the InChIKey of 2-ethyl-6-propan-2-ylspiro[2.4]heptane?
The InChIKey is PPKSAVPRIAJPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-11-8-12(11)6-5-10(7-12)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-6-propan-2-ylspiro[2.4]heptane?
2-ethyl-6-propan-2-ylspiro[2.4]heptane has a molecular weight of 166.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-propan-2-ylspiro[2.4]heptane is sourced from PubChem (CID 123260811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).