methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate

C15H26O2 — CID 91347933

IUPACmethyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CC1C(C(C)C)C2C(C)C
InChIInChI=1S/C15H26O2/c1-8(2)13-10-6-11(14(13)9(3)4)12(7-10)15(16)17-5/h8-14H,6-7H2,1-5H3
InChIKeyWCZNALYDFFUXBL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.36
Rot. Bonds3

About methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate

methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 91347933) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID91347933
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namemethyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1CC2CC1C(C(C)C)C2C(C)C
InChIInChI=1S/C15H26O2/c1-8(2)13-10-6-11(14(13)9(3)4)12(7-10)15(16)17-5/h8-14H,6-7H2,1-5H3
InChIKeyWCZNALYDFFUXBL-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate (CID 91347933) is methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate is COC(=O)C1CC2CC1C(C(C)C)C2C(C)C.
What is the InChIKey of methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is WCZNALYDFFUXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-8(2)13-10-6-11(14(13)9(3)4)12(7-10)15(16)17-5/h8-14H,6-7H2,1-5H3.
What are the key properties of methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate?
methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-di(propan-2-yl)bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 91347933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).