(8E)-bicyclo[12.1.0]pentadec-8-en-7-one

C15H24O — CID 87257523

IUPAC(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
SMILESO=C1/C=C/CCCCC2CC2CCCCC1
InChIInChI=1S/C15H24O/c16-15-10-6-2-1-4-8-13-12-14(13)9-5-3-7-11-15/h6,10,13-14H,1-5,7-9,11-12H2/b10-6+
InChIKeyQGKWEVDQZFUDJX-UXBLZVDNSA-N
MW220.36 g/mol
LogP4.27
Rot. Bonds

About (8E)-bicyclo[12.1.0]pentadec-8-en-7-one

(8E)-bicyclo[12.1.0]pentadec-8-en-7-one (PubChem CID 87257523) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (8E)-bicyclo[12.1.0]pentadec-8-en-7-one.

Molecular Properties

Compound Name(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
PubChem CID87257523
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(8E)-bicyclo[12.1.0]pentadec-8-en-7-one
SMILESO=C1/C=C/CCCCC2CC2CCCCC1
InChIInChI=1S/C15H24O/c16-15-10-6-2-1-4-8-13-12-14(13)9-5-3-7-11-15/h6,10,13-14H,1-5,7-9,11-12H2/b10-6+
InChIKeyQGKWEVDQZFUDJX-UXBLZVDNSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8E)-bicyclo[12.1.0]pentadec-8-en-7-one?
The IUPAC name of (8E)-bicyclo[12.1.0]pentadec-8-en-7-one (CID 87257523) is (8E)-bicyclo[12.1.0]pentadec-8-en-7-one.
What is the SMILES notation for (8E)-bicyclo[12.1.0]pentadec-8-en-7-one?
The canonical SMILES for (8E)-bicyclo[12.1.0]pentadec-8-en-7-one is O=C1/C=C/CCCCC2CC2CCCCC1.
What is the InChIKey of (8E)-bicyclo[12.1.0]pentadec-8-en-7-one?
The InChIKey is QGKWEVDQZFUDJX-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H24O/c16-15-10-6-2-1-4-8-13-12-14(13)9-5-3-7-11-15/h6,10,13-14H,1-5,7-9,11-12H2/b10-6+.
What are the key properties of (8E)-bicyclo[12.1.0]pentadec-8-en-7-one?
(8E)-bicyclo[12.1.0]pentadec-8-en-7-one has a molecular weight of 220.36 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-bicyclo[12.1.0]pentadec-8-en-7-one is sourced from PubChem (CID 87257523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).