(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone

C17H20O7 — CID 10427111

IUPAC(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone
SMILESC[C@@H]1CC(=O)O[C@@H](C)C(=O)/C=C/C(=O)C[C@H](C)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C17H20O7/c1-10-8-13(18)4-5-15(20)12(3)24-17(22)9-11(2)23-16(21)7-6-14(10)19/h4-7,10-12H,8-9H2,1-3H3/b5-4+,7-6+/t10-,11+,12-/m0/s1
InChIKeyZLAAYLNWOWJATD-UKSURNRTSA-N
MW336.34 g/mol
LogP1.10
Rot. Bonds

About (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone

(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone (PubChem CID 10427111) has the molecular formula C17H20O7 and a molecular weight of 336.34 g/mol. Its IUPAC name is (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone.

Molecular Properties

Compound Name(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone
PubChem CID10427111
Molecular FormulaC17H20O7
Molecular Weight336.34 g/mol
Exact Mass336.12
IUPAC Name(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone
SMILESC[C@@H]1CC(=O)O[C@@H](C)C(=O)/C=C/C(=O)C[C@H](C)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C17H20O7/c1-10-8-13(18)4-5-15(20)12(3)24-17(22)9-11(2)23-16(21)7-6-14(10)19/h4-7,10-12H,8-9H2,1-3H3/b5-4+,7-6+/t10-,11+,12-/m0/s1
InChIKeyZLAAYLNWOWJATD-UKSURNRTSA-N
XLogP1.10
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone with MolForge

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Launch Full Analysis

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Frequently Asked Questions

What is the IUPAC name of (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone?
The IUPAC name of (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone (CID 10427111) is (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone.
What is the SMILES notation for (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone?
The canonical SMILES for (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone is C[C@@H]1CC(=O)O[C@@H](C)C(=O)/C=C/C(=O)C[C@H](C)C(=O)/C=C/C(=O)O1.
What is the InChIKey of (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone?
The InChIKey is ZLAAYLNWOWJATD-UKSURNRTSA-N. The full InChI is InChI=1S/C17H20O7/c1-10-8-13(18)4-5-15(20)12(3)24-17(22)9-11(2)23-16(21)7-6-14(10)19/h4-7,10-12H,8-9H2,1-3H3/b5-4+,7-6+/t10-,11+,12-/m0/s1.
What are the key properties of (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone?
(4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone has a molecular weight of 336.34 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7E,10S,13E,16S)-4,10,16-trimethyl-1,5-dioxacyclohexadeca-7,13-diene-2,6,9,12,15-pentone is sourced from PubChem (CID 10427111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).