[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate

C20H34O6 — CID 23524665

IUPAC[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate
SMILESC=C(CCCCCCCOCOC(=C)C(C)OC(C)=O)C(C)OC(C)=O
InChIInChI=1S/C20H34O6/c1-15(16(2)25-19(5)21)12-10-8-7-9-11-13-23-14-24-17(3)18(4)26-20(6)22/h16,18H,1,3,7-14H2,2,4-6H3
InChIKeyRHGFZNJGYHCAMH-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.29
Rot. Bonds15

About [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate

[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate (PubChem CID 23524665) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate.

Molecular Properties

Compound Name[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate
PubChem CID23524665
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate
SMILESC=C(CCCCCCCOCOC(=C)C(C)OC(C)=O)C(C)OC(C)=O
InChIInChI=1S/C20H34O6/c1-15(16(2)25-19(5)21)12-10-8-7-9-11-13-23-14-24-17(3)18(4)26-20(6)22/h16,18H,1,3,7-14H2,2,4-6H3
InChIKeyRHGFZNJGYHCAMH-UHFFFAOYSA-N
XLogP4.29
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234062
[(2R,3S,12S,13R)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl] prop-2-enoate
CID 155935154
2-(6-Methylhept-6-enoxymethoxy)prop-2-enyl acetate
CID 20770073
[7-(3-Hydroxyprop-1-en-2-yloxymethoxy)-2-methylideneheptyl] acetate
CID 20770122
[3-[8-Methyl-1-(prop-1-en-2-yloxymethoxy)non-8-en-2-yl]oxy-3-oxopropyl] 2-methylprop-2-enoate
CID 23571672
[1-Decan-2-yloxy-1-(2-methylprop-2-enoyloxy)propan-2-yl] 2-methylprop-2-enoate
CID 88407020
1,1,1-Tris(2-methylprop-2-enoyloxy)octan-2-yl 2-methylprop-2-enoate
CID 140166517
3,3-Bis(2-methylprop-2-enoyloxy)nonan-2-yl 2-methylprop-2-enoate
CID 140537211
1,1,1-Triethoxyundecan-2-yl 2-methylprop-2-enoate
CID 150050098
1,1,1-Tripropoxydecan-2-yl 2-methylprop-2-enoate
CID 150639109
1,1,1-Trimethoxydecan-2-yloxymethyl 2-methylprop-2-enoate
CID 151254990
1,1,1-Tri(propan-2-yloxy)decan-2-yl 2-methylprop-2-enoate
CID 152201580

Frequently Asked Questions

What is the IUPAC name of [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate?
The IUPAC name of [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate (CID 23524665) is [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate.
What is the SMILES notation for [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate?
The canonical SMILES for [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate is C=C(CCCCCCCOCOC(=C)C(C)OC(C)=O)C(C)OC(C)=O.
What is the InChIKey of [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate?
The InChIKey is RHGFZNJGYHCAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6/c1-15(16(2)25-19(5)21)12-10-8-7-9-11-13-23-14-24-17(3)18(4)26-20(6)22/h16,18H,1,3,7-14H2,2,4-6H3.
What are the key properties of [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate?
[10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate has a molecular weight of 370.49 g/mol, XLogP of 4.29, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(3-acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate is sourced from PubChem (CID 23524665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).