(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate

C11H20O3 — CID 10375533

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyWNLRJVGYKJCADM-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.14
Rot. Bonds2

About (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate

(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate (PubChem CID 10375533) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate
PubChem CID10375533
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate
SMILESCC1CCC(C(C)C)C(OC(=O)O)C1
InChIInChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13)
InChIKeyWNLRJVGYKJCADM-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate (CID 10375533) is (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate is CC1CCC(C(C)C)C(OC(=O)O)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate?
The InChIKey is WNLRJVGYKJCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)9-5-4-8(3)6-10(9)14-11(12)13/h7-10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate?
(5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate has a molecular weight of 200.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) hydrogen carbonate is sourced from PubChem (CID 10375533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).