7-oxabicyclo[14.1.0]heptadecane-5,9-dione

C16H26O3 — CID 57158774

IUPAC7-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2CC2CCCC(=O)COC1
InChIInChI=1S/C16H26O3/c17-15-8-4-2-1-3-6-13-10-14(13)7-5-9-16(18)12-19-11-15/h13-14H,1-12H2
InChIKeyMPWZCAQDAXZRFU-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.30
Rot. Bonds

About 7-oxabicyclo[14.1.0]heptadecane-5,9-dione

7-oxabicyclo[14.1.0]heptadecane-5,9-dione (PubChem CID 57158774) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 7-oxabicyclo[14.1.0]heptadecane-5,9-dione.

Molecular Properties

Compound Name7-oxabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID57158774
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name7-oxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESO=C1CCCCCCC2CC2CCCC(=O)COC1
InChIInChI=1S/C16H26O3/c17-15-8-4-2-1-3-6-13-10-14(13)7-5-9-16(18)12-19-11-15/h13-14H,1-12H2
InChIKeyMPWZCAQDAXZRFU-UHFFFAOYSA-N
XLogP3.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 316616
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(1S,2R)-2-butyl-1-methoxycyclopropane-1-carbaldehyde
CID 11789458
Ethyl 4-methyl-2-oxoundecanoate
CID 134945646
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
CID 134965647
14-Methyl-16-oxabicyclo[10.3.1]hexadecan-2-one
CID 57935605
8-Methyl-1-(2-oxopropoxy)nonan-2-one
CID 58371222
(1-Cyclopropyl-3,7,7-trideuterio-4-methyl-2-oxooctan-3-yl) acetate
CID 58519804
1-(2-Ethylcyclopropyl)-2-methoxyethanone
CID 59014234
2-(Cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143468
1-Cyclopentyl-2-ethoxy-5-methylhexan-3-one
CID 59143471

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The IUPAC name of 7-oxabicyclo[14.1.0]heptadecane-5,9-dione (CID 57158774) is 7-oxabicyclo[14.1.0]heptadecane-5,9-dione.
What is the SMILES notation for 7-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The canonical SMILES for 7-oxabicyclo[14.1.0]heptadecane-5,9-dione is O=C1CCCCCCC2CC2CCCC(=O)COC1.
What is the InChIKey of 7-oxabicyclo[14.1.0]heptadecane-5,9-dione?
The InChIKey is MPWZCAQDAXZRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-15-8-4-2-1-3-6-13-10-14(13)7-5-9-16(18)12-19-11-15/h13-14H,1-12H2.
What are the key properties of 7-oxabicyclo[14.1.0]heptadecane-5,9-dione?
7-oxabicyclo[14.1.0]heptadecane-5,9-dione has a molecular weight of 266.38 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[14.1.0]heptadecane-5,9-dione is sourced from PubChem (CID 57158774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).