3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

C32H56O3 — CID 164978487

IUPAC3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESCC1C=C2CCCCCCCCCCC(C1)O2.CC1CC(=O)CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O2.C16H28O/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h14H,2-13H2,1H3;12,14,16H,2-11,13H2,1H3
InChIKeyFDAFNWALFCRKFJ-UHFFFAOYSA-N
MW488.80 g/mol
LogP9.67
Rot. Bonds

About 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (PubChem CID 164978487) has the molecular formula C32H56O3 and a molecular weight of 488.80 g/mol. Its IUPAC name is 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.

Molecular Properties

Compound Name3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
PubChem CID164978487
Molecular FormulaC32H56O3
Molecular Weight488.80 g/mol
Exact Mass488.42
IUPAC Name3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESCC1C=C2CCCCCCCCCCC(C1)O2.CC1CC(=O)CCCCCCCCCCC(=O)C1
InChIInChI=1S/C16H28O2.C16H28O/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h14H,2-13H2,1H3;12,14,16H,2-11,13H2,1H3
InChIKeyFDAFNWALFCRKFJ-UHFFFAOYSA-N
XLogP9.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene with MolForge

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Related Compounds

3-(2-Methylpropoxy)-6-(3-oxobutyl)-6-prop-2-enylcyclohex-2-en-1-one
CID 139249588
ethyl 5-[(1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-oxopentanoate
CID 10107611
(E)-3-(2-methoxybutyl)hentriacont-29-en-2-one
CID 5319397
Propyl 4-hexadeca-1,4,7,10,13-pentaenyl-5-oxohexacosa-8,11,14,17,20,23-hexaenoate
CID 57019238
2-Dodec-3-enylcyclohexan-1-one;1-hexadecoxyhexadecane
CID 66988819
3-Ethoxy-6-pentylcyclohex-2-en-1-one
CID 68616193
2,4,6,6-Tetramethyl-1-oxacyclohexadec-13-ene-5,9-dione
CID 69957327
(10E,23Z)-13,26-dihexyl-1-oxacyclohexacosa-10,23-diene-2,15-dione
CID 70960897
3-(2-Methoxybutyl)hentriacont-29-en-2-one
CID 78385257
6-(3-Propan-2-yloxybut-3-enyl)cyclooct-4-en-1-one
CID 123523613
(9E)-6-methyl-16-(oxiran-2-ylmethyl)cyclohexadec-9-ene-1,5-dione
CID 141028487
6-Methyl-2-nonadec-1-en-10-yl-2,3-dihydropyran-4-one
CID 141627390

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The IUPAC name of 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (CID 164978487) is 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.
What is the SMILES notation for 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The canonical SMILES for 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is CC1C=C2CCCCCCCCCCC(C1)O2.CC1CC(=O)CCCCCCCCCCC(=O)C1.
What is the InChIKey of 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The InChIKey is FDAFNWALFCRKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2.C16H28O/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)13-14;1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h14H,2-13H2,1H3;12,14,16H,2-11,13H2,1H3.
What are the key properties of 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene has a molecular weight of 488.80 g/mol, XLogP of 9.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclopentadecane-1,5-dione;14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is sourced from PubChem (CID 164978487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).