(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate

C18H28O3 — CID 20671212

IUPAC(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCOC1CCCCC1OC(=O)C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H28O3/c1-20-16-4-2-3-5-17(16)21-18(19)13-9-14-11-6-7-12(8-11)15(14)10-13/h11-17H,2-10H2,1H3
InChIKeyPRBDIIDRIOOAIN-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.56
Rot. Bonds3

About (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate

(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate (PubChem CID 20671212) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate.

Molecular Properties

Compound Name(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate
PubChem CID20671212
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate
SMILESCOC1CCCCC1OC(=O)C1CC2C3CCC(C3)C2C1
InChIInChI=1S/C18H28O3/c1-20-16-4-2-3-5-17(16)21-18(19)13-9-14-11-6-7-12(8-11)15(14)10-13/h11-17H,2-10H2,1H3
InChIKeyPRBDIIDRIOOAIN-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate with MolForge

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Related Compounds

4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester
CID 14833045
Ethyl (1R,2R,6R,7S)-tricyclo[5.2.1.02,6]decane-2-carboxylate
CID 157342
4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethyl ester, (3aalpha,4alpha,7alpha,7aalpha)-
CID 157343
4,7-Methano-1H-indene-2-carboxylic acid, octahydro-, ethyl ester
CID 109169
4,7-Methano-1H-indene-5-carboxylic acid, octahydro-, ethyl ester
CID 109171
ethyl (1R,6S,7R)-tricyclo[5.2.1.02,6]decane-4-carboxylate
CID 127024437
4,7-Methano-1H-indene-1-carboxylic acid, octahydro-, ethyl ester
CID 112136
4,7-Methano-1H-indenecarboxylic acid, octahydro-, methyl ester
CID 109136
1,1,1,3,3,3-Hexafluoropropan-2-yl 9,10-dimethyltetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 20771669
3,3-Difluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 58100678
1,1,1,3,3-Pentafluorobutan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 71263581
1,1,1-Trifluoropropan-2-yl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate
CID 118258849

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate?
The IUPAC name of (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate (CID 20671212) is (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate.
What is the SMILES notation for (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate?
The canonical SMILES for (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate is COC1CCCCC1OC(=O)C1CC2C3CCC(C3)C2C1.
What is the InChIKey of (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate?
The InChIKey is PRBDIIDRIOOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-20-16-4-2-3-5-17(16)21-18(19)13-9-14-11-6-7-12(8-11)15(14)10-13/h11-17H,2-10H2,1H3.
What are the key properties of (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate?
(2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate has a molecular weight of 292.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclohexyl) tricyclo[5.2.1.02,6]decane-4-carboxylate is sourced from PubChem (CID 20671212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).