(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol

C14H28O4 — CID 10848940

IUPAC(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO)OC
InChIInChI=1S/C14H28O4/c1-6-13(17-5)8-7-11(2)14(12(3)9-15)18-10-16-4/h6,11-15H,1,7-10H2,2-5H3/t11-,12-,13-,14-/m1/s1
InChIKeyUEXMPMAWQMBASM-AAVRWANBSA-N
MW260.37 g/mol
LogP2.22
Rot. Bonds11

About (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol

(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol (PubChem CID 10848940) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol.

Molecular Properties

Compound Name(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol
PubChem CID10848940
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol
SMILESC=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO)OC
InChIInChI=1S/C14H28O4/c1-6-13(17-5)8-7-11(2)14(12(3)9-15)18-10-16-4/h6,11-15H,1,7-10H2,2-5H3/t11-,12-,13-,14-/m1/s1
InChIKeyUEXMPMAWQMBASM-AAVRWANBSA-N
XLogP2.22
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2S,3S,5R)-6-methoxy-6-(3-methoxypropa-1,2-dienyl)-3,5-dimethyloxan-2-yl]butan-1-ol
CID 10517199
lithium (2S)-2-[(2S,3S,5R)-6-methoxy-6-(3-methoxypropa-1,2-dienyl)-3,5-dimethyloxan-2-yl]butan-1-ol
CID 10637236
(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
CID 23249217
(3S,4R,5S,6S)-3,5-dimethoxy-7-(methoxymethoxy)-4,6-dimethylhept-1-ene
CID 23635077
(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
CID 46855551
(4S,5S,6R,8R)-5-(methoxymethoxy)-6-[2-(methoxymethoxy)ethyl]-4,8-dimethylundeca-1,10-diene-3,9-diol
CID 134878462
(4R,6R)-6-[(4S,5S,6R)-6-ethenyl-5-methyl-1,3-dioxan-4-yl]-8-(methoxymethoxy)-4-methyloct-1-en-3-ol
CID 134937398
(2R,3S,8S,10S)-8-ethenyl-3-methyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-ol
CID 135046091
CID 59093300
CID 59093300
1-(4-Hydroxycyclohexyl)prop-2-enyl prop-2-enyl carbonate
CID 141626377
10,10-Dimethoxy-3,5,9-trimethyltetradec-1-en-6-ol
CID 142528966
7-(2-Hydroxypropan-2-yloxy)-12,14-dimethylhexadec-1-ene-3,5-diol
CID 144843588

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol?
The IUPAC name of (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol (CID 10848940) is (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol.
What is the SMILES notation for (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol?
The canonical SMILES for (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol is C=C[C@H](CC[C@@H](C)[C@@H](OCOC)[C@H](C)CO)OC.
What is the InChIKey of (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol?
The InChIKey is UEXMPMAWQMBASM-AAVRWANBSA-N. The full InChI is InChI=1S/C14H28O4/c1-6-13(17-5)8-7-11(2)14(12(3)9-15)18-10-16-4/h6,11-15H,1,7-10H2,2-5H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol?
(2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol has a molecular weight of 260.37 g/mol, XLogP of 2.22, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,7S)-7-methoxy-3-(methoxymethoxy)-2,4-dimethylnon-8-en-1-ol is sourced from PubChem (CID 10848940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).