(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate

C14H22O3 — CID 170113395

IUPAC(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate
SMILESCCC1(OC(=O)O)C(C)CC23CC(CC1C2)C3
InChIInChI=1S/C14H22O3/c1-3-14(17-12(15)16)9(2)5-13-6-10(7-13)4-11(14)8-13/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXHCIGWAUPAITFP-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.68
Rot. Bonds2

About (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate

(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate (PubChem CID 170113395) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate.

Molecular Properties

Compound Name(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate
PubChem CID170113395
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate
SMILESCCC1(OC(=O)O)C(C)CC23CC(CC1C2)C3
InChIInChI=1S/C14H22O3/c1-3-14(17-12(15)16)9(2)5-13-6-10(7-13)4-11(14)8-13/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyXHCIGWAUPAITFP-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate?
The IUPAC name of (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate (CID 170113395) is (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate.
What is the SMILES notation for (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate?
The canonical SMILES for (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate is CCC1(OC(=O)O)C(C)CC23CC(CC1C2)C3.
What is the InChIKey of (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate?
The InChIKey is XHCIGWAUPAITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-14(17-12(15)16)9(2)5-13-6-10(7-13)4-11(14)8-13/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate?
(6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate has a molecular weight of 238.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-7-methyl-6-tricyclo[3.3.1.11,3]decanyl) hydrogen carbonate is sourced from PubChem (CID 170113395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).