(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol

C15H30O3 — CID 46855551

IUPAC(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
SMILESC=CC[C@H](C)CC[C@H](O)C[C@H](CCC)OCOC
InChIInChI=1S/C15H30O3/c1-5-7-13(3)9-10-14(16)11-15(8-6-2)18-12-17-4/h5,13-16H,1,6-12H2,2-4H3/t13-,14-,15-/m0/s1
InChIKeyYKYPTGHTVMENPW-KKUMJFAQSA-N
MW258.40 g/mol
LogP3.52
Rot. Bonds12

About (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol

(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol (PubChem CID 46855551) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol.

Molecular Properties

Compound Name(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
PubChem CID46855551
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
SMILESC=CC[C@H](C)CC[C@H](O)C[C@H](CCC)OCOC
InChIInChI=1S/C15H30O3/c1-5-7-13(3)9-10-14(16)11-15(8-6-2)18-12-17-4/h5,13-16H,1,6-12H2,2-4H3/t13-,14-,15-/m0/s1
InChIKeyYKYPTGHTVMENPW-KKUMJFAQSA-N
XLogP3.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.52
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

(4R,5R,6S)-6-(methoxymethoxy)-5-methylhept-1-en-4-ol
CID 13523923
(4S,5S,6S)-6-(methoxymethoxy)-5-methylhept-1-en-4-ol
CID 13523924
(4R,5S,6S)-6-(methoxymethoxy)-5-methylhept-1-en-4-ol
CID 13523925
(1S,2S)-2-[6-(methoxymethoxy)hexyl]cyclopent-3-en-1-ol
CID 11031629
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
(2R,3R)-2-ethenylundecane-1,3-diol
CID 14107347
(5S,6R)-5-ethenyl-6-(methoxymethoxy)undecane
CID 15652071
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane
CID 15652075
(3R,5R,6S)-5-(methoxymethoxy)-6-methylnon-8-ene-1,3-diol
CID 23249217
(3R,5S,6R)-3,5-dimethyl-6-[(2S)-pent-4-en-2-yl]oxan-2-ol
CID 60145310
(2R,3R,4S,5R)-2,4-dimethylnon-8-ene-1,3,5-triol
CID 124221669
(1S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 134905956

Frequently Asked Questions

What is the IUPAC name of (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol?
The IUPAC name of (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol (CID 46855551) is (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol.
What is the SMILES notation for (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol?
The canonical SMILES for (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol is C=CC[C@H](C)CC[C@H](O)C[C@H](CCC)OCOC.
What is the InChIKey of (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol?
The InChIKey is YKYPTGHTVMENPW-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H30O3/c1-5-7-13(3)9-10-14(16)11-15(8-6-2)18-12-17-4/h5,13-16H,1,6-12H2,2-4H3/t13-,14-,15-/m0/s1.
What are the key properties of (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol?
(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol has a molecular weight of 258.40 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol is sourced from PubChem (CID 46855551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).