2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane

C14H24 — CID 163904880

IUPAC2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
SMILESCCC1C(C)C1C1C(C)C12CCCC2
InChIInChI=1S/C14H24/c1-4-11-9(2)12(11)13-10(3)14(13)7-5-6-8-14/h9-13H,4-8H2,1-3H3
InChIKeyQNBAEBGBWMNJIZ-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds2

About 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane

2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane (PubChem CID 163904880) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane.

Molecular Properties

Compound Name2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
PubChem CID163904880
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane
SMILESCCC1C(C)C1C1C(C)C12CCCC2
InChIInChI=1S/C14H24/c1-4-11-9(2)12(11)13-10(3)14(13)7-5-6-8-14/h9-13H,4-8H2,1-3H3
InChIKeyQNBAEBGBWMNJIZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
1,2-dimethylspiro[2.4]heptane
CID 58548907
1-ethyl-2-(2-ethyl-2-methylcyclopropyl)-3-methylcyclopropane
CID 90879674
2,4-bis(2,2-dimethylpropyl)-6-ethyl-7-methylbicyclo[3.2.0]heptane
CID 145352950
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
5,6-diethyl-2,7-dimethylspiro[2.4]heptane
CID 123890098
(5R)-1-ethyl-2,3,4,5,6-pentamethylcyclohexane
CID 143806596
5,8-dimethylspiro[3.4]octane;propane
CID 90899958
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
8-ethyl-1-methyl-2-propylspiro[2.7]decane
CID 123742873
1-ethyl-2,3,8,8-tetramethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 174946291

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane?
The IUPAC name of 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane (CID 163904880) is 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane.
What is the SMILES notation for 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane?
The canonical SMILES for 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane is CCC1C(C)C1C1C(C)C12CCCC2.
What is the InChIKey of 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane?
The InChIKey is QNBAEBGBWMNJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-11-9(2)12(11)13-10(3)14(13)7-5-6-8-14/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane?
2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-3-methylcyclopropyl)-1-methylspiro[2.4]heptane is sourced from PubChem (CID 163904880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).