cycloheptyl hydrogen carbonate

C8H14O3 — CID 23179405

IUPACcycloheptyl hydrogen carbonate
SMILESO=C(O)OC1CCCCCC1
InChIInChI=1S/C8H14O3/c9-8(10)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKeyXFYIPRRMZXTLGJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.40
Rot. Bonds1

About cycloheptyl hydrogen carbonate

cycloheptyl hydrogen carbonate (PubChem CID 23179405) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is cycloheptyl hydrogen carbonate.

Molecular Properties

Compound Namecycloheptyl hydrogen carbonate
PubChem CID23179405
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namecycloheptyl hydrogen carbonate
SMILESO=C(O)OC1CCCCCC1
InChIInChI=1S/C8H14O3/c9-8(10)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10)
InChIKeyXFYIPRRMZXTLGJ-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
cyclopentyl hydrogen carbonate;oxolane
CID 175213240
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
dicyclononyl carbonate
CID 139618210
cyclopentyl hydrogen carbonate;pyrrolidine-2,5-dione
CID 68845454
cyclohexyloxycarbonyl-λ2-stannane
CID 174853148
cycloheptadecyl acetate
CID 57215828
cyclodecyl cyclodecyloxycarbonyloxy carbonate
CID 139793916
[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
[3,5-bis(cyclohexyloxycarbonyloxy)cyclohexyl] cyclohexyl carbonate
CID 23066782
azane;cyclohexyl acetate
CID 174554221

Frequently Asked Questions

What is the IUPAC name of cycloheptyl hydrogen carbonate?
The IUPAC name of cycloheptyl hydrogen carbonate (CID 23179405) is cycloheptyl hydrogen carbonate.
What is the SMILES notation for cycloheptyl hydrogen carbonate?
The canonical SMILES for cycloheptyl hydrogen carbonate is O=C(O)OC1CCCCCC1.
What is the InChIKey of cycloheptyl hydrogen carbonate?
The InChIKey is XFYIPRRMZXTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-8(10)11-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,9,10).
What are the key properties of cycloheptyl hydrogen carbonate?
cycloheptyl hydrogen carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl hydrogen carbonate is sourced from PubChem (CID 23179405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).