2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane

C16H22 — CID 91396243

IUPAC2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane
SMILESC=C1C(C)C1C1C(C2CC23CC3C)C12CC2
InChIInChI=1S/C16H22/c1-8-6-16(8)7-11(16)13-14(15(13)4-5-15)12-9(2)10(12)3/h8,10-14H,2,4-7H2,1,3H3
InChIKeySBFKEUHQVNPGEX-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.88
Rot. Bonds2

About 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane

2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane (PubChem CID 91396243) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane.

Molecular Properties

Compound Name2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane
PubChem CID91396243
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane
SMILESC=C1C(C)C1C1C(C2CC23CC3C)C12CC2
InChIInChI=1S/C16H22/c1-8-6-16(8)7-11(16)13-14(15(13)4-5-15)12-9(2)10(12)3/h8,10-14H,2,4-7H2,1,3H3
InChIKeySBFKEUHQVNPGEX-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane?
The IUPAC name of 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane (CID 91396243) is 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane.
What is the SMILES notation for 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane?
The canonical SMILES for 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane is C=C1C(C)C1C1C(C2CC23CC3C)C12CC2.
What is the InChIKey of 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane?
The InChIKey is SBFKEUHQVNPGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-8-6-16(8)7-11(16)13-14(15(13)4-5-15)12-9(2)10(12)3/h8,10-14H,2,4-7H2,1,3H3.
What are the key properties of 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane?
2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane has a molecular weight of 214.35 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane is sourced from PubChem (CID 91396243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).