(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione

C18H32O6 — CID 6419698

IUPAC(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
SMILESCO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C
InChIInChI=1S/C18H32O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyITNZVBUKMJNBTI-KLHDSHLOSA-N
MW344.45 g/mol
LogP2.73
Rot. Bonds2

About (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione

(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione (PubChem CID 6419698) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione.

Molecular Properties

Compound Name(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
PubChem CID6419698
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Name(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione
SMILESCO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C
InChIInChI=1S/C18H32O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16-/m1/s1
InChIKeyITNZVBUKMJNBTI-KLHDSHLOSA-N
XLogP2.73
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione?
The IUPAC name of (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione (CID 6419698) is (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione.
What is the SMILES notation for (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione?
The canonical SMILES for (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione is CO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C.
What is the InChIKey of (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione?
The InChIKey is ITNZVBUKMJNBTI-KLHDSHLOSA-N. The full InChI is InChI=1S/C18H32O6/c1-13-7-5-9-17(19)24-12-16(22-4)14(2)8-6-10-18(20)23-11-15(13)21-3/h13-16H,5-12H2,1-4H3/t13-,14-,15-,16-/m1/s1.
What are the key properties of (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione?
(6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione has a molecular weight of 344.45 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,14R,15S)-7,15-dimethoxy-6,14-dimethyl-1,9-dioxacyclohexadecane-2,10-dione is sourced from PubChem (CID 6419698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).