methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate

C17H26O2 — CID 20621999

IUPACmethyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESC/C=C/C1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3
InChIInChI=1S/C17H26O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h5-6,10-15H,7-9H2,1-4H3/b6-5+
InChIKeyVFCXPQFNOKBDAZ-AATRIKPKSA-N
MW262.39 g/mol
LogP3.67
Rot. Bonds2

About methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate

methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 20621999) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID20621999
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Namemethyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESC/C=C/C1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3
InChIInChI=1S/C17H26O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h5-6,10-15H,7-9H2,1-4H3/b6-5+
InChIKeyVFCXPQFNOKBDAZ-AATRIKPKSA-N
XLogP3.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate (CID 20621999) is methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate is C/C=C/C1CC(C)C2C3CC(C12)C(C)(C(=O)OC)C3.
What is the InChIKey of methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is VFCXPQFNOKBDAZ-AATRIKPKSA-N. The full InChI is InChI=1S/C17H26O2/c1-5-6-11-7-10(2)14-12-8-13(15(11)14)17(3,9-12)16(18)19-4/h5-6,10-15H,7-9H2,1-4H3/b6-5+.
What are the key properties of methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate?
methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 262.39 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,8-dimethyl-5-[(E)-prop-1-enyl]tricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 20621999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).