(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol

C13H22O3 — CID 11322107

IUPAC(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol
SMILESC#CC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C
InChIInChI=1S/C13H22O3/c1-5-7-11(3)13(16-10-15-4)9-12(14)8-6-2/h2,5,11-14H,1,7-10H2,3-4H3/t11-,12+,13+/m0/s1
InChIKeyXFSJZASOVZZCRT-YNEHKIRRSA-N
MW226.32 g/mol
LogP1.96
Rot. Bonds9

About (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol

(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol (PubChem CID 11322107) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol.

Molecular Properties

Compound Name(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol
PubChem CID11322107
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol
SMILESC#CC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C
InChIInChI=1S/C13H22O3/c1-5-7-11(3)13(16-10-15-4)9-12(14)8-6-2/h2,5,11-14H,1,7-10H2,3-4H3/t11-,12+,13+/m0/s1
InChIKeyXFSJZASOVZZCRT-YNEHKIRRSA-N
XLogP1.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol?
The IUPAC name of (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol (CID 11322107) is (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol.
What is the SMILES notation for (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol?
The canonical SMILES for (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol is C#CC[C@@H](O)C[C@@H](OCOC)[C@@H](C)CC=C.
What is the InChIKey of (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol?
The InChIKey is XFSJZASOVZZCRT-YNEHKIRRSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-7-11(3)13(16-10-15-4)9-12(14)8-6-2/h2,5,11-14H,1,7-10H2,3-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol?
(4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol has a molecular weight of 226.32 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R,7S)-6-(methoxymethoxy)-7-methyldec-9-en-1-yn-4-ol is sourced from PubChem (CID 11322107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).