2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate

C14H24O4 — CID 20770073

IUPAC2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate
SMILESC=C(C)CCCCCOCOC(=C)COC(C)=O
InChIInChI=1S/C14H24O4/c1-12(2)8-6-5-7-9-16-11-18-13(3)10-17-14(4)15/h1,3,5-11H2,2,4H3
InChIKeyBLFSCKNTTCZDQS-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.19
Rot. Bonds11

About 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate

2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate (PubChem CID 20770073) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate.

Molecular Properties

Compound Name2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate
PubChem CID20770073
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate
SMILESC=C(C)CCCCCOCOC(=C)COC(C)=O
InChIInChI=1S/C14H24O4/c1-12(2)8-6-5-7-9-16-11-18-13(3)10-17-14(4)15/h1,3,5-11H2,2,4H3
InChIKeyBLFSCKNTTCZDQS-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-yl] acetate
CID 13481363
[(2S,4S)-2-(methoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234062
[7-(3-Hydroxyprop-1-en-2-yloxymethoxy)-2-methylideneheptyl] acetate
CID 20770122
[10-(3-Acetyloxybut-1-en-2-yloxymethoxy)-3-methylidenedecan-2-yl] acetate
CID 23524665
[(3S)-8-(methoxymethoxy)oct-1-en-3-yl] acetate
CID 140141387
2,3,3-Triethoxyoct-1-en-1-one
CID 175236883
3-Methoxycarbonyloxyoct-1-en-2-yl acetate
CID 13700887
[(2S,4S)-2-(2-methoxyethoxymethoxymethyl)-5-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
CID 101234063

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate?
The IUPAC name of 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate (CID 20770073) is 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate.
What is the SMILES notation for 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate?
The canonical SMILES for 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate is C=C(C)CCCCCOCOC(=C)COC(C)=O.
What is the InChIKey of 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate?
The InChIKey is BLFSCKNTTCZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-12(2)8-6-5-7-9-16-11-18-13(3)10-17-14(4)15/h1,3,5-11H2,2,4H3.
What are the key properties of 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate?
2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate has a molecular weight of 256.34 g/mol, XLogP of 3.19, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylhept-6-enoxymethoxy)prop-2-enyl acetate is sourced from PubChem (CID 20770073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).