[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate

C10H14O2 — CID 57184873

IUPAC[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate
SMILESCC1(C)C(C=C2CC2)C1OC=O
InChIInChI=1S/C10H14O2/c1-10(2)8(5-7-3-4-7)9(10)12-6-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPFRCMADWIMXUFB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.90
Rot. Bonds3

About [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate

[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate (PubChem CID 57184873) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate.

Molecular Properties

Compound Name[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate
PubChem CID57184873
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate
SMILESCC1(C)C(C=C2CC2)C1OC=O
InChIInChI=1S/C10H14O2/c1-10(2)8(5-7-3-4-7)9(10)12-6-11/h5-6,8-9H,3-4H2,1-2H3
InChIKeyPFRCMADWIMXUFB-UHFFFAOYSA-N
XLogP1.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate?
The IUPAC name of [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate (CID 57184873) is [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate.
What is the SMILES notation for [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate?
The canonical SMILES for [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate is CC1(C)C(C=C2CC2)C1OC=O.
What is the InChIKey of [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate?
The InChIKey is PFRCMADWIMXUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)8(5-7-3-4-7)9(10)12-6-11/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate?
[3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate has a molecular weight of 166.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylidenemethyl)-2,2-dimethylcyclopropyl] formate is sourced from PubChem (CID 57184873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).