cyclopentyl hydrogen carbonate;oxolane

C10H18O4 — CID 175213240

IUPACcyclopentyl hydrogen carbonate;oxolane
SMILESC1CCOC1.O=C(O)OC1CCCC1
InChIInChI=1S/C6H10O3.C4H8O/c7-6(8)9-5-3-1-2-4-5;1-2-4-5-3-1/h5H,1-4H2,(H,7,8);1-4H2
InChIKeyBDEZHYUTBCQUQP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.42
Rot. Bonds1

About cyclopentyl hydrogen carbonate;oxolane

cyclopentyl hydrogen carbonate;oxolane (PubChem CID 175213240) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is cyclopentyl hydrogen carbonate;oxolane.

Molecular Properties

Compound Namecyclopentyl hydrogen carbonate;oxolane
PubChem CID175213240
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namecyclopentyl hydrogen carbonate;oxolane
SMILESC1CCOC1.O=C(O)OC1CCCC1
InChIInChI=1S/C6H10O3.C4H8O/c7-6(8)9-5-3-1-2-4-5;1-2-4-5-3-1/h5H,1-4H2,(H,7,8);1-4H2
InChIKeyBDEZHYUTBCQUQP-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl hydrogen carbonate;oxolane?
The IUPAC name of cyclopentyl hydrogen carbonate;oxolane (CID 175213240) is cyclopentyl hydrogen carbonate;oxolane.
What is the SMILES notation for cyclopentyl hydrogen carbonate;oxolane?
The canonical SMILES for cyclopentyl hydrogen carbonate;oxolane is C1CCOC1.O=C(O)OC1CCCC1.
What is the InChIKey of cyclopentyl hydrogen carbonate;oxolane?
The InChIKey is BDEZHYUTBCQUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H8O/c7-6(8)9-5-3-1-2-4-5;1-2-4-5-3-1/h5H,1-4H2,(H,7,8);1-4H2.
What are the key properties of cyclopentyl hydrogen carbonate;oxolane?
cyclopentyl hydrogen carbonate;oxolane has a molecular weight of 202.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl hydrogen carbonate;oxolane is sourced from PubChem (CID 175213240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).