dicyclopropylmethyl formate

C8H12O2 — CID 90002700

IUPACdicyclopropylmethyl formate
SMILESO=COC(C1CC1)C1CC1
InChIInChI=1S/C8H12O2/c9-5-10-8(6-1-2-6)7-3-4-7/h5-8H,1-4H2
InChIKeyMRXVEKKHHSZLFF-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds4

About dicyclopropylmethyl formate

dicyclopropylmethyl formate (PubChem CID 90002700) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is dicyclopropylmethyl formate.

Molecular Properties

Compound Namedicyclopropylmethyl formate
PubChem CID90002700
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namedicyclopropylmethyl formate
SMILESO=COC(C1CC1)C1CC1
InChIInChI=1S/C8H12O2/c9-5-10-8(6-1-2-6)7-3-4-7/h5-8H,1-4H2
InChIKeyMRXVEKKHHSZLFF-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclopropylmethyl formate?
The IUPAC name of dicyclopropylmethyl formate (CID 90002700) is dicyclopropylmethyl formate.
What is the SMILES notation for dicyclopropylmethyl formate?
The canonical SMILES for dicyclopropylmethyl formate is O=COC(C1CC1)C1CC1.
What is the InChIKey of dicyclopropylmethyl formate?
The InChIKey is MRXVEKKHHSZLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-10-8(6-1-2-6)7-3-4-7/h5-8H,1-4H2.
What are the key properties of dicyclopropylmethyl formate?
dicyclopropylmethyl formate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropylmethyl formate is sourced from PubChem (CID 90002700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).