tert-butyl hydrogen carbonate;ethylcycloheptane

C14H28O3 — CID 175418399

IUPACtert-butyl hydrogen carbonate;ethylcycloheptane
SMILESCC(C)(C)OC(=O)O.CCC1CCCCCC1
InChIInChI=1S/C9H18.C5H10O3/c1-2-9-7-5-3-4-6-8-9;1-5(2,3)8-4(6)7/h9H,2-8H2,1H3;1-3H3,(H,6,7)
InChIKeyJYTYOFQKDJMHOU-UHFFFAOYSA-N
MW244.37 g/mol
LogP4.85
Rot. Bonds1

About tert-butyl hydrogen carbonate;ethylcycloheptane

tert-butyl hydrogen carbonate;ethylcycloheptane (PubChem CID 175418399) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is tert-butyl hydrogen carbonate;ethylcycloheptane.

Molecular Properties

Compound Nametert-butyl hydrogen carbonate;ethylcycloheptane
PubChem CID175418399
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nametert-butyl hydrogen carbonate;ethylcycloheptane
SMILESCC(C)(C)OC(=O)O.CCC1CCCCCC1
InChIInChI=1S/C9H18.C5H10O3/c1-2-9-7-5-3-4-6-8-9;1-5(2,3)8-4(6)7/h9H,2-8H2,1H3;1-3H3,(H,6,7)
InChIKeyJYTYOFQKDJMHOU-UHFFFAOYSA-N
XLogP4.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl carbamate;4-ethylcyclohexan-1-ol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl hydrogen carbonate;ethylcycloheptane?
The IUPAC name of tert-butyl hydrogen carbonate;ethylcycloheptane (CID 175418399) is tert-butyl hydrogen carbonate;ethylcycloheptane.
What is the SMILES notation for tert-butyl hydrogen carbonate;ethylcycloheptane?
The canonical SMILES for tert-butyl hydrogen carbonate;ethylcycloheptane is CC(C)(C)OC(=O)O.CCC1CCCCCC1.
What is the InChIKey of tert-butyl hydrogen carbonate;ethylcycloheptane?
The InChIKey is JYTYOFQKDJMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H10O3/c1-2-9-7-5-3-4-6-8-9;1-5(2,3)8-4(6)7/h9H,2-8H2,1H3;1-3H3,(H,6,7).
What are the key properties of tert-butyl hydrogen carbonate;ethylcycloheptane?
tert-butyl hydrogen carbonate;ethylcycloheptane has a molecular weight of 244.37 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl hydrogen carbonate;ethylcycloheptane is sourced from PubChem (CID 175418399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).