cyclohexen-1-yl hydrogen carbonate

C7H10O3 — CID 57063010

IUPACcyclohexen-1-yl hydrogen carbonate
SMILESO=C(O)OC1=CCCCC1
InChIInChI=1S/C7H10O3/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)
InChIKeyBTORCESSLBGKFU-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.14
Rot. Bonds1

About cyclohexen-1-yl hydrogen carbonate

cyclohexen-1-yl hydrogen carbonate (PubChem CID 57063010) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is cyclohexen-1-yl hydrogen carbonate.

Molecular Properties

Compound Namecyclohexen-1-yl hydrogen carbonate
PubChem CID57063010
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Namecyclohexen-1-yl hydrogen carbonate
SMILESO=C(O)OC1=CCCCC1
InChIInChI=1S/C7H10O3/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9)
InChIKeyBTORCESSLBGKFU-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl hydrogen carbonate?
The IUPAC name of cyclohexen-1-yl hydrogen carbonate (CID 57063010) is cyclohexen-1-yl hydrogen carbonate.
What is the SMILES notation for cyclohexen-1-yl hydrogen carbonate?
The canonical SMILES for cyclohexen-1-yl hydrogen carbonate is O=C(O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl hydrogen carbonate?
The InChIKey is BTORCESSLBGKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)10-6-4-2-1-3-5-6/h4H,1-3,5H2,(H,8,9).
What are the key properties of cyclohexen-1-yl hydrogen carbonate?
cyclohexen-1-yl hydrogen carbonate has a molecular weight of 142.15 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl hydrogen carbonate is sourced from PubChem (CID 57063010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).