2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate

C12H18O3 — CID 70907498

IUPAC2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCC1(C(=O)OCCO)CC2CC1C1CC21
InChIInChI=1S/C12H18O3/c1-12(11(14)15-3-2-13)6-7-4-10(12)9-5-8(7)9/h7-10,13H,2-6H2,1H3
InChIKeyKLMQYKOUUGQWRB-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.20
Rot. Bonds3

About 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate

2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate (PubChem CID 70907498) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate
PubChem CID70907498
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate
SMILESCC1(C(=O)OCCO)CC2CC1C1CC21
InChIInChI=1S/C12H18O3/c1-12(11(14)15-3-2-13)6-7-4-10(12)9-5-8(7)9/h7-10,13H,2-6H2,1H3
InChIKeyKLMQYKOUUGQWRB-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate?
The IUPAC name of 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate (CID 70907498) is 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate?
The canonical SMILES for 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate is CC1(C(=O)OCCO)CC2CC1C1CC21.
What is the InChIKey of 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate?
The InChIKey is KLMQYKOUUGQWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(11(14)15-3-2-13)6-7-4-10(12)9-5-8(7)9/h7-10,13H,2-6H2,1H3.
What are the key properties of 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate?
2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate has a molecular weight of 210.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 6-methyltricyclo[3.2.1.02,4]octane-6-carboxylate is sourced from PubChem (CID 70907498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).