(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol

C12H24O3 — CID 135016264

IUPAC(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
SMILESC=CC(O)[C@H](OCOC)[C@@H](C)CCCC
InChIInChI=1S/C12H24O3/c1-5-7-8-10(3)12(11(13)6-2)15-9-14-4/h6,10-13H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m0/s1
InChIKeyOYQPFHUEDLTCPS-ASKATJPDSA-N
MW216.32 g/mol
LogP2.35
Rot. Bonds9

About (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol

(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol (PubChem CID 135016264) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol.

Molecular Properties

Compound Name(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
PubChem CID135016264
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
SMILESC=CC(O)[C@H](OCOC)[C@@H](C)CCCC
InChIInChI=1S/C12H24O3/c1-5-7-8-10(3)12(11(13)6-2)15-9-14-4/h6,10-13H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m0/s1
InChIKeyOYQPFHUEDLTCPS-ASKATJPDSA-N
XLogP2.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.35
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'}

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Related Compounds

(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
CID 11255150
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
(4R)-4-[(1S)-1-(methoxymethoxy)-2-methylpropyl]-2-methyloct-2-ene
CID 11746813
4,8-dimethyl-8-pentoxynon-1-en-3-ol
CID 134207773
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2,2-dimethyloctane
CID 15652078
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
methyl (2S)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
CID 10330067
methyl (2R)-2-[(1S)-1-hydroxyprop-2-enyl]hexanoate
CID 10012658
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
tert-butyl-[(1S,2R,3S)-2-(methoxymethoxy)-3-methyl-1-(oxiran-2-yl)heptoxy]-dimethylsilane
CID 135016312
(3R,4R)-3-methyloct-1-en-4-ol
CID 13087267
4-(methoxymethoxy)non-1-ene
CID 14592865

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol?
The IUPAC name of (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol (CID 135016264) is (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol.
What is the SMILES notation for (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol?
The canonical SMILES for (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol is C=CC(O)[C@H](OCOC)[C@@H](C)CCCC.
What is the InChIKey of (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol?
The InChIKey is OYQPFHUEDLTCPS-ASKATJPDSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-7-8-10(3)12(11(13)6-2)15-9-14-4/h6,10-13H,2,5,7-9H2,1,3-4H3/t10-,11?,12+/m0/s1.
What are the key properties of (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol?
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol has a molecular weight of 216.32 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol is sourced from PubChem (CID 135016264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).