14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one

C17H26O2 — CID 11277022

IUPAC14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
SMILESCOC12C=C3CCCCCCCCCCC1(C2)C3=O
InChIInChI=1S/C17H26O2/c1-19-17-12-14-10-8-6-4-2-3-5-7-9-11-16(17,13-17)15(14)18/h12H,2-11,13H2,1H3
InChIKeyDTOGVUPEKMYTEX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.19
Rot. Bonds1

About 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one

14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one (PubChem CID 11277022) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one.

Molecular Properties

Compound Name14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
PubChem CID11277022
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one
SMILESCOC12C=C3CCCCCCCCCCC1(C2)C3=O
InChIInChI=1S/C17H26O2/c1-19-17-12-14-10-8-6-4-2-3-5-7-9-11-16(17,13-17)15(14)18/h12H,2-11,13H2,1H3
InChIKeyDTOGVUPEKMYTEX-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131989556
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CID 131989581
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Frequently Asked Questions

What is the IUPAC name of 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one?
The IUPAC name of 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one (CID 11277022) is 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one.
What is the SMILES notation for 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one?
The canonical SMILES for 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one is COC12C=C3CCCCCCCCCCC1(C2)C3=O.
What is the InChIKey of 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one?
The InChIKey is DTOGVUPEKMYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-19-17-12-14-10-8-6-4-2-3-5-7-9-11-16(17,13-17)15(14)18/h12H,2-11,13H2,1H3.
What are the key properties of 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one?
14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one has a molecular weight of 262.39 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methoxytricyclo[10.3.1.01,14]hexadec-12-en-16-one is sourced from PubChem (CID 11277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).