2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate

C20H30O3 — CID 18008733

IUPAC2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
SMILESCC(C)(OC(=O)C1CC2C3C=CC(C3)C2C1)C1CCC(O)CC1
InChIInChI=1S/C20H30O3/c1-20(2,15-5-7-16(21)8-6-15)23-19(22)14-10-17-12-3-4-13(9-12)18(17)11-14/h3-4,12-18,21H,5-11H2,1-2H3
InChIKeyRYWGQBBDMFPVQA-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.71
Rot. Bonds3

About 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate

2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate (PubChem CID 18008733) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
PubChem CID18008733
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate
SMILESCC(C)(OC(=O)C1CC2C3C=CC(C3)C2C1)C1CCC(O)CC1
InChIInChI=1S/C20H30O3/c1-20(2,15-5-7-16(21)8-6-15)23-19(22)14-10-17-12-3-4-13(9-12)18(17)11-14/h3-4,12-18,21H,5-11H2,1-2H3
InChIKeyRYWGQBBDMFPVQA-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The IUPAC name of 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate (CID 18008733) is 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The canonical SMILES for 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate is CC(C)(OC(=O)C1CC2C3C=CC(C3)C2C1)C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
The InChIKey is RYWGQBBDMFPVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-20(2,15-5-7-16(21)8-6-15)23-19(22)14-10-17-12-3-4-13(9-12)18(17)11-14/h3-4,12-18,21H,5-11H2,1-2H3.
What are the key properties of 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate?
2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)propan-2-yl tricyclo[5.2.1.02,6]dec-8-ene-4-carboxylate is sourced from PubChem (CID 18008733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).