2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol

C36H68O8 — CID 158717952

IUPAC2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
SMILESC=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O.C=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O
InChIInChI=1S/2C18H34O4/c2*1-4-5-6-7-8-9-10-11-12-13-15-16(19)17(20)18(22-15)14(2)21-3/h2*4,14-20H,1,5-13H2,2-3H3
InChIKeyIJOBPLOODMNJDU-UHFFFAOYSA-N
MW628.93 g/mol
LogP6.41
Rot. Bonds24

About 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol

2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol (PubChem CID 158717952) has the molecular formula C36H68O8 and a molecular weight of 628.93 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
PubChem CID158717952
Molecular FormulaC36H68O8
Molecular Weight628.93 g/mol
Exact Mass628.49
IUPAC Name2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
SMILESC=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O.C=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O
InChIInChI=1S/2C18H34O4/c2*1-4-5-6-7-8-9-10-11-12-13-15-16(19)17(20)18(22-15)14(2)21-3/h2*4,14-20H,1,5-13H2,2-3H3
InChIKeyIJOBPLOODMNJDU-UHFFFAOYSA-N
XLogP6.41
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.93
LogP ≤ 56.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
CID 89467401
[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 150771199
2-decyl-3-pent-4-enyloxirane
CID 57481003
(2S,3R)-2-non-8-enyl-3-[[(2S,3R)-3-pentyloxiran-2-yl]methyl]oxirane
CID 23428201
methyl (2R)-2-methylnon-8-enoate
CID 58289580
[(2R,3R,4R,5S)-3,4-diphenoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687759
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
[(2R,3R,4R,5R)-3,4-dioctoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687762
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl undec-10-enoate
CID 11726043

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol?
The IUPAC name of 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol (CID 158717952) is 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol.
What is the SMILES notation for 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol?
The canonical SMILES for 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol is C=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O.C=CCCCCCCCCCC1OC(C(C)OC)C(O)C1O.
What is the InChIKey of 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol?
The InChIKey is IJOBPLOODMNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H34O4/c2*1-4-5-6-7-8-9-10-11-12-13-15-16(19)17(20)18(22-15)14(2)21-3/h2*4,14-20H,1,5-13H2,2-3H3.
What are the key properties of 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol?
2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol has a molecular weight of 628.93 g/mol, XLogP of 6.41, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol is sourced from PubChem (CID 158717952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).