(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol

C12H22O3 — CID 11390251

IUPAC(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
SMILESC=CCC[C@H](OCOC)[C@@H](O)CCC=C
InChIInChI=1S/C12H22O3/c1-4-6-8-11(13)12(9-7-5-2)15-10-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeyWVFCFKFZQHZRRE-RYUDHWBXSA-N
MW214.30 g/mol
LogP2.27
Rot. Bonds10

About (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol

(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol (PubChem CID 11390251) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol.

Molecular Properties

Compound Name(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
PubChem CID11390251
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol
SMILESC=CCC[C@H](OCOC)[C@@H](O)CCC=C
InChIInChI=1S/C12H22O3/c1-4-6-8-11(13)12(9-7-5-2)15-10-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1
InChIKeyWVFCFKFZQHZRRE-RYUDHWBXSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.27
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

(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2S,4S)-4-(methoxymethoxy)hept-6-en-2-ol
CID 46218223
5-Methoxymethoxy-9-methyl-deca-1,8-dien-4-ol
CID 53305073
(4S,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144558
(4R,5R,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-ol
CID 102144559
(3R,4R)-4-(methoxymethoxy)octa-1,7-dien-3-ol
CID 102478541
(2R,3R,4R)-1-iodo-4-(methoxymethoxy)oct-7-ene-2,3-diol
CID 134832287
(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
CID 134856154

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol?
The IUPAC name of (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol (CID 11390251) is (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol.
What is the SMILES notation for (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol?
The canonical SMILES for (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol is C=CCC[C@H](OCOC)[C@@H](O)CCC=C.
What is the InChIKey of (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol?
The InChIKey is WVFCFKFZQHZRRE-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-6-8-11(13)12(9-7-5-2)15-10-14-3/h4-5,11-13H,1-2,6-10H2,3H3/t11-,12-/m0/s1.
What are the key properties of (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol?
(5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol has a molecular weight of 214.30 g/mol, XLogP of 2.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-(methoxymethoxy)deca-1,9-dien-5-ol is sourced from PubChem (CID 11390251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).