(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

C17H28O5 — CID 15560518

IUPAC(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
SMILESCCC1OC(=O)C(C)C(O)C(C)CC(C)C(=O)/C=C(\C)C1O
InChIInChI=1S/C17H28O5/c1-6-14-16(20)11(4)8-13(18)9(2)7-10(3)15(19)12(5)17(21)22-14/h8-10,12,14-16,19-20H,6-7H2,1-5H3/b11-8+
InChIKeyWPEPVYRGOZYIAR-DHZHZOJOSA-N
MW312.41 g/mol
LogP1.86
Rot. Bonds1

About (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione

(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione (PubChem CID 15560518) has the molecular formula C17H28O5 and a molecular weight of 312.41 g/mol. Its IUPAC name is (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione.

Molecular Properties

Compound Name(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
PubChem CID15560518
Molecular FormulaC17H28O5
Molecular Weight312.41 g/mol
Exact Mass312.19
IUPAC Name(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
SMILESCCC1OC(=O)C(C)C(O)C(C)CC(C)C(=O)/C=C(\C)C1O
InChIInChI=1S/C17H28O5/c1-6-14-16(20)11(4)8-13(18)9(2)7-10(3)15(19)12(5)17(21)22-14/h8-10,12,14-16,19-20H,6-7H2,1-5H3/b11-8+
InChIKeyWPEPVYRGOZYIAR-DHZHZOJOSA-N
XLogP1.86
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione?
The IUPAC name of (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione (CID 15560518) is (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione.
What is the SMILES notation for (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione?
The canonical SMILES for (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione is CCC1OC(=O)C(C)C(O)C(C)CC(C)C(=O)/C=C(\C)C1O.
What is the InChIKey of (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione?
The InChIKey is WPEPVYRGOZYIAR-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H28O5/c1-6-14-16(20)11(4)8-13(18)9(2)7-10(3)15(19)12(5)17(21)22-14/h8-10,12,14-16,19-20H,6-7H2,1-5H3/b11-8+.
What are the key properties of (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione?
(9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione has a molecular weight of 312.41 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-12-ethyl-4,11-dihydroxy-3,5,7,10-tetramethyl-1-oxacyclododec-9-ene-2,8-dione is sourced from PubChem (CID 15560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).