(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione

C20H28O3 — CID 134759255

IUPAC(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione
SMILESC/C1=C/C=C(C(C)C)CCC2=CCCC(C)(OC2=O)C(=O)CC1
InChIInChI=1S/C20H28O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14H,5,8,10-13H2,1-4H3/b15-7-,16-9?
InChIKeyPSZUHEPXMXTNIL-JFMVCROYSA-N
MW316.44 g/mol
LogP4.68
Rot. Bonds1

About (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione

(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione (PubChem CID 134759255) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione.

Molecular Properties

Compound Name(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione
PubChem CID134759255
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione
SMILESC/C1=C/C=C(C(C)C)CCC2=CCCC(C)(OC2=O)C(=O)CC1
InChIInChI=1S/C20H28O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14H,5,8,10-13H2,1-4H3/b15-7-,16-9?
InChIKeyPSZUHEPXMXTNIL-JFMVCROYSA-N
XLogP4.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione with MolForge

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Related Compounds

Sarcrassin E
CID 16091635
(1S,5Z,7E)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione
CID 11381519
[(6R,8aS)-6,8a-dimethyl-2,7-dioxo-3-propan-2-yl-1,4,5,8-tetrahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
CID 156020118
Ketoemblide
CID 73350688
methyl 2-[(1R,5S)-5-methyl-4-(3-oxobutyl)cyclohept-3-en-1-yl]prop-2-enoate
CID 163006741
methyl (2Z)-2-[(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-ylidene]acetate
CID 71451880
(5R)-3,5-diethyl-5-[(2S)-2-ethyl-5-oxohexyl]furan-2-one
CID 71453698
(1S,5E,7E)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione
CID 12111651
[(6S,8aR)-6,8a-dimethyl-2,7-dioxo-3-propan-2-yl-1,4,5,8-tetrahydroazulen-6-yl] (Z)-2-methylbut-2-enoate
CID 14239543
methyl (1S)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
CID 162965490
methyl (1R,5Z,7Z)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
CID 162965491
methyl (1R,5E,7Z)-1-methyl-2,16-dioxo-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-5-carboxylate
CID 163185923

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione?
The IUPAC name of (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione (CID 134759255) is (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione.
What is the SMILES notation for (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione?
The canonical SMILES for (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione is C/C1=C/C=C(C(C)C)CCC2=CCCC(C)(OC2=O)C(=O)CC1.
What is the InChIKey of (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione?
The InChIKey is PSZUHEPXMXTNIL-JFMVCROYSA-N. The full InChI is InChI=1S/C20H28O3/c1-14(2)16-9-7-15(3)8-12-18(21)20(4)13-5-6-17(11-10-16)19(22)23-20/h6-7,9,14H,5,8,10-13H2,1-4H3/b15-7-,16-9?.
What are the key properties of (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione?
(5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione has a molecular weight of 316.44 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,5-dimethyl-8-propan-2-yl-15-oxabicyclo[9.3.2]hexadeca-5,7,11-triene-2,16-dione is sourced from PubChem (CID 134759255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).