(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione

C17H24O4 — CID 10589735

IUPAC(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione
SMILESC/C1=C\CC[C@H](C)[C@@H](C)OC(=O)/C=C/[C@](C)(O)/C=C/C1=O
InChIInChI=1S/C17H24O4/c1-12-6-5-7-13(2)15(18)8-10-17(4,20)11-9-16(19)21-14(12)3/h7-12,14,20H,5-6H2,1-4H3/b10-8+,11-9+,13-7+/t12-,14+,17+/m0/s1
InChIKeyRZPYXXIOJYPPLT-LKSZNYMUSA-N
MW292.38 g/mol
LogP2.73
Rot. Bonds

About (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione

(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione (PubChem CID 10589735) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione
PubChem CID10589735
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione
SMILESC/C1=C\CC[C@H](C)[C@@H](C)OC(=O)/C=C/[C@](C)(O)/C=C/C1=O
InChIInChI=1S/C17H24O4/c1-12-6-5-7-13(2)15(18)8-10-17(4,20)11-9-16(19)21-14(12)3/h7-12,14,20H,5-6H2,1-4H3/b10-8+,11-9+,13-7+/t12-,14+,17+/m0/s1
InChIKeyRZPYXXIOJYPPLT-LKSZNYMUSA-N
XLogP2.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione with MolForge

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Related Compounds

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
CID 6440973
methyl (2Z)-2-[(5R)-3,5-diethyl-5-[(E,2R,5S)-2-ethyl-5-hydroxyhex-3-enyl]furan-2-ylidene]acetate
CID 66575622
Latrunculeic Acid
CID 11426344
CID 6444600
CID 6444600
Cineromycin B
CID 11220127
[(1S,4S,5R)-4-acetyloxy-6-methylidene-5-prop-1-en-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate
CID 163189224
(5R)-3,5-diethyl-5-[(E,4S)-2-ethyl-4-hydroxyhex-2-enyl]furan-2-one
CID 71451879
(5R)-3,5-diethyl-5-[(E,2R,5R)-2-ethyl-5-hydroxyhex-3-enyl]furan-2-one
CID 71453697
(5R)-3,5-diethyl-5-[(Z,4R)-2-ethyl-4-hydroxyhex-2-enyl]furan-2-one
CID 71459060
(5R)-3,5-diethyl-5-[(Z,4S)-2-ethyl-4-hydroxyhex-2-enyl]furan-2-one
CID 71462573
2,3-Dihydroalbocycline
CID 6443598
5,6-Dihydrocineromycin B
CID 10709065

Frequently Asked Questions

What is the IUPAC name of (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione?
The IUPAC name of (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione (CID 10589735) is (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione.
What is the SMILES notation for (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione?
The canonical SMILES for (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione is C/C1=C\CC[C@H](C)[C@@H](C)OC(=O)/C=C/[C@](C)(O)/C=C/C1=O.
What is the InChIKey of (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione?
The InChIKey is RZPYXXIOJYPPLT-LKSZNYMUSA-N. The full InChI is InChI=1S/C17H24O4/c1-12-6-5-7-13(2)15(18)8-10-17(4,20)11-9-16(19)21-14(12)3/h7-12,14,20H,5-6H2,1-4H3/b10-8+,11-9+,13-7+/t12-,14+,17+/m0/s1.
What are the key properties of (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione?
(3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione has a molecular weight of 292.38 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5R,6E,9E,13S,14R)-5-hydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 10589735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).