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

C13H24O3 — CID 10466332

IUPAC(2E,4R,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-JHAXHDQWSA-N
MW228.33 g/mol
LogP2.66
Rot. Bonds9

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

(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol (PubChem CID 10466332) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol.

Molecular Properties

Compound Name(2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
PubChem CID10466332
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2E,4R,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-JHAXHDQWSA-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'}

Analyze (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol with MolForge

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Related Compounds

ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
4-Penten-2-ol, 3-[(2-methoxyethoxy)methoxy]-, (2S,3S)-
CID 11424055
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550
Pentenyl-1,3-dioxolane-4-methanol, (E)-
CID 69669515
[2-(Pent-1-en-1-yl)-1,3-dioxolan-4-yl]methanol
CID 69669516
1-(2,5-dimethoxy-2H-furan-5-yl)propan-1-ol
CID 332603

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The IUPAC name of (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol (CID 10466332) is (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol.
What is the SMILES notation for (2E,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The canonical SMILES for (2E,4R,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,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
The InChIKey is AEQFBDCGMJWMNS-JHAXHDQWSA-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,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol?
(2E,4R,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,4R,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol is sourced from PubChem (CID 10466332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).