(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate

C10H16O3 — CID 69133125

IUPAC(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate
SMILESCC1C(OC(=O)O)C12CCCCC2
InChIInChI=1S/C10H16O3/c1-7-8(13-9(11)12)10(7)5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyZEUSREOJDBZQTO-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.65
Rot. Bonds1

About (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate

(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate (PubChem CID 69133125) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate
PubChem CID69133125
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate
SMILESCC1C(OC(=O)O)C12CCCCC2
InChIInChI=1S/C10H16O3/c1-7-8(13-9(11)12)10(7)5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyZEUSREOJDBZQTO-UHFFFAOYSA-N
XLogP2.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate?
The IUPAC name of (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate (CID 69133125) is (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate.
What is the SMILES notation for (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate?
The canonical SMILES for (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate is CC1C(OC(=O)O)C12CCCCC2.
What is the InChIKey of (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate?
The InChIKey is ZEUSREOJDBZQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7-8(13-9(11)12)10(7)5-3-2-4-6-10/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate?
(1-methylspiro[2.5]octan-2-yl) hydrogen carbonate has a molecular weight of 184.23 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylspiro[2.5]octan-2-yl) hydrogen carbonate is sourced from PubChem (CID 69133125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).