(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate

C14H20O2 — CID 138567153

IUPAC(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate
SMILESCCC1(OC=O)C2CC3CC4CC1C4(C3)C2
InChIInChI=1S/C14H20O2/c1-2-14(16-8-15)11-4-9-3-10-5-12(14)13(10,6-9)7-11/h8-12H,2-7H2,1H3
InChIKeyWPFFMPWDLTXYMT-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.76
Rot. Bonds3

About (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate

(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate (PubChem CID 138567153) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate.

Molecular Properties

Compound Name(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate
PubChem CID138567153
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate
SMILESCCC1(OC=O)C2CC3CC4CC1C4(C3)C2
InChIInChI=1S/C14H20O2/c1-2-14(16-8-15)11-4-9-3-10-5-12(14)13(10,6-9)7-11/h8-12H,2-7H2,1H3
InChIKeyWPFFMPWDLTXYMT-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate?
The IUPAC name of (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate (CID 138567153) is (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate.
What is the SMILES notation for (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate?
The canonical SMILES for (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate is CCC1(OC=O)C2CC3CC4CC1C4(C3)C2.
What is the InChIKey of (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate?
The InChIKey is WPFFMPWDLTXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-14(16-8-15)11-4-9-3-10-5-12(14)13(10,6-9)7-11/h8-12H,2-7H2,1H3.
What are the key properties of (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate?
(2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate has a molecular weight of 220.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-tetracyclo[5.3.1.03,9.05,9]undecanyl) formate is sourced from PubChem (CID 138567153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).