5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane

C13H20 — CID 163892179

IUPAC5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane
SMILESCCC1(C)CC2(CC2)CC1=C1CC1
InChIInChI=1S/C13H20/c1-3-12(2)9-13(6-7-13)8-11(12)10-4-5-10/h3-9H2,1-2H3
InChIKeyQCLWPIKUEKUOSR-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.07
Rot. Bonds1

About 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane

5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane (PubChem CID 163892179) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane.

Molecular Properties

Compound Name5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane
PubChem CID163892179
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane
SMILESCCC1(C)CC2(CC2)CC1=C1CC1
InChIInChI=1S/C13H20/c1-3-12(2)9-13(6-7-13)8-11(12)10-4-5-10/h3-9H2,1-2H3
InChIKeyQCLWPIKUEKUOSR-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-spiro[2.4]heptan-2-ylidenespiro[2.4]heptane
CID 11745392
8-Cyclopropylidenedi-spiro[2.0.2.3]nonane
CID 101177781
(3aR,9Z)-2,2,5,9-tetramethyl-3,3a,4,6,7,8-hexahydro-1H-cyclopenta[8]annulen-5-ylium
CID 134832503
1-Butyl-1-[cyclopropyl(cyclopropylidene)methyl]cyclopropane
CID 12567931
1,2,3,4-Tetramethylbicyclo[2.2.1]hept-2-ene
CID 54391498
1,2,3,4,4,5,6,6-Octamethylbicyclo[3.1.0]hex-2-ene
CID 58944292
9,10-Dimethyldispiro[2.2.26.23]dec-9-ene
CID 59295096
7-[2-[1-Methyl-2-(2,4,5-trimethylhex-4-enyl)cyclopropyl]cyclopropyl]octylcyclopentane
CID 91045891
3-Ethyl-1-propyl-2-(1-propylcyclopropyl)cyclopropene
CID 91062996
6-Butan-2-yl-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-1(6)-ene
CID 123163710
2-Cyclopropyl-5-(3,4-dimethylpent-3-enyl)spiro[2.2]pentane
CID 123170438
2-(3,4-Dimethylpentan-2-yl)-2',3'-dimethylspiro[bicyclo[1.1.0]but-1-ene-4,1'-cyclopropane]
CID 123193551

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane?
The IUPAC name of 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane (CID 163892179) is 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane.
What is the SMILES notation for 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane?
The canonical SMILES for 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane is CCC1(C)CC2(CC2)CC1=C1CC1.
What is the InChIKey of 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane?
The InChIKey is QCLWPIKUEKUOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-12(2)9-13(6-7-13)8-11(12)10-4-5-10/h3-9H2,1-2H3.
What are the key properties of 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane?
5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane has a molecular weight of 176.30 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-6-ethyl-6-methylspiro[2.4]heptane is sourced from PubChem (CID 163892179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).