(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate

C10H14O2 — CID 175580210

IUPAC(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate
SMILESCC#CC1C(COC=O)C1(C)C
InChIInChI=1S/C10H14O2/c1-4-5-8-9(6-12-7-11)10(8,2)3/h7-9H,6H2,1-3H3
InChIKeyTXPNECZHYNUJRT-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.45
Rot. Bonds3

About (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate

(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate (PubChem CID 175580210) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate
PubChem CID175580210
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate
SMILESCC#CC1C(COC=O)C1(C)C
InChIInChI=1S/C10H14O2/c1-4-5-8-9(6-12-7-11)10(8,2)3/h7-9H,6H2,1-3H3
InChIKeyTXPNECZHYNUJRT-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate?
The IUPAC name of (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate (CID 175580210) is (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate.
What is the SMILES notation for (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate?
The canonical SMILES for (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate is CC#CC1C(COC=O)C1(C)C.
What is the InChIKey of (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate?
The InChIKey is TXPNECZHYNUJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-5-8-9(6-12-7-11)10(8,2)3/h7-9H,6H2,1-3H3.
What are the key properties of (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate?
(2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate has a molecular weight of 166.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-prop-1-ynylcyclopropyl)methyl formate is sourced from PubChem (CID 175580210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).