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

C18H34O5 — CID 89467401

IUPAC2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
SMILESC=CCCCCCCCCCC1OC(C(OC)OC)C(O)C1O
InChIInChI=1S/C18H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-15(19)16(20)17(23-14)18(21-2)22-3/h4,14-20H,1,5-13H2,2-3H3
InChIKeyRKNXKTCCXMHJBA-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.79
Rot. Bonds13

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

2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol (PubChem CID 89467401) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol.

Molecular Properties

Compound Name2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
PubChem CID89467401
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol
SMILESC=CCCCCCCCCCC1OC(C(OC)OC)C(O)C1O
InChIInChI=1S/C18H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-15(19)16(20)17(23-14)18(21-2)22-3/h4,14-20H,1,5-13H2,2-3H3
InChIKeyRKNXKTCCXMHJBA-UHFFFAOYSA-N
XLogP2.79
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(1-methoxyethyl)-5-undec-10-enyloxolane-3,4-diol
CID 158717952
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
[(2R,3R,4R,5R)-3,4-bis(4-methoxyphenoxy)-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 150771199
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
(2R,3R,5R)-5-[(1S)-1-hydroxydec-9-enyl]-2-pentyloxolan-3-ol
CID 53350173
[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl undec-10-enoate
CID 11726043
(1S)-2-(dimethoxymethyl)-4-(prop-2-enoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane
CID 171036309
[(2R,3R,4R,5S)-3,4-diphenoxy-5-undec-10-en-2-yloxolan-2-yl]methanol
CID 140687759
1-cyclohexyl-1-methoxynon-8-en-2-ol
CID 107008733
methoxymethane;tridec-12-en-1-ol
CID 87674016
1,1-dimethoxynon-8-en-2-amine
CID 107009425

Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol?
The IUPAC name of 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol (CID 89467401) is 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol.
What is the SMILES notation for 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol?
The canonical SMILES for 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol is C=CCCCCCCCCCC1OC(C(OC)OC)C(O)C1O.
What is the InChIKey of 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol?
The InChIKey is RKNXKTCCXMHJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-15(19)16(20)17(23-14)18(21-2)22-3/h4,14-20H,1,5-13H2,2-3H3.
What are the key properties of 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol?
2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol has a molecular weight of 330.47 g/mol, XLogP of 2.79, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-5-undec-10-enyloxolane-3,4-diol is sourced from PubChem (CID 89467401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).