(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol

C13H24O3 — CID 134992697

IUPAC(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
SMILESC/C=C/[C@H](OCOC)[C@@H](O)/C=C/CCCC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,8-10,12-14H,4,6-7,11H2,1-3H3/b9-5+,10-8+/t12-,13-/m0/s1
InChIKeyAEQFBDCGMJWMNS-QFGHBFJKSA-N
MW228.33 g/mol
LogP2.66
Rot. Bonds9

About (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol

(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol (PubChem CID 134992697) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol.

Molecular Properties

Compound Name(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
PubChem CID134992697
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
SMILESC/C=C/[C@H](OCOC)[C@@H](O)/C=C/CCCC
InChIInChI=1S/C13H24O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,8-10,12-14H,4,6-7,11H2,1-3H3/b9-5+,10-8+/t12-,13-/m0/s1
InChIKeyAEQFBDCGMJWMNS-QFGHBFJKSA-N
XLogP2.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(2E,4S,5S,6E)-4-[tert-butyl(dimethyl)silyl]oxyundeca-2,6-dien-5-ol
CID 10334877
(E,4R,5S)-4-(methoxymethoxy)tridec-2-en-6-yn-5-ol
CID 10445037
deca-1,5-diene-3,4-diol
CID 130238346
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(Z,2R)-2-(methoxymethoxy)octadec-3-enoic acid
CID 11057009
(E)-hept-2-ene-1,1-diol
CID 87660901
2-amino-1-methoxyoctadec-4-en-3-ol
CID 54490244
tert-butyl N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamate
CID 44551220
(5E,7E)-dodeca-2,5,7-trien-4-ol
CID 86643741
tributyl-[(E,1S)-1-(methoxymethoxy)but-2-enyl]stannane
CID 12839862
(Z,2R)-non-3-en-2-ol
CID 11040800

Frequently Asked Questions

What is the IUPAC name of (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The IUPAC name of (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol (CID 134992697) is (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol.
What is the SMILES notation for (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The canonical SMILES for (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol is C/C=C/[C@H](OCOC)[C@@H](O)/C=C/CCCC.
What is the InChIKey of (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The InChIKey is AEQFBDCGMJWMNS-QFGHBFJKSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-6-7-8-10-12(14)13(9-5-2)16-11-15-3/h5,8-10,12-14H,4,6-7,11H2,1-3H3/b9-5+,10-8+/t12-,13-/m0/s1.
What are the key properties of (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol has a molecular weight of 228.33 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol is sourced from PubChem (CID 134992697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).