(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene

C16H32O3 — CID 135039643

IUPAC(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene
SMILESCC/C=C(\C)C(CCCCCC)OC(C)(OC)OC
InChIInChI=1S/C16H32O3/c1-7-9-10-11-13-15(14(3)12-8-2)19-16(4,17-5)18-6/h12,15H,7-11,13H2,1-6H3/b14-12+
InChIKeyYBFXDSVLYBTGOY-WYMLVPIESA-N
MW272.43 g/mol
LogP4.66
Rot. Bonds11

About (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene

(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene (PubChem CID 135039643) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene.

Molecular Properties

Compound Name(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene
PubChem CID135039643
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene
SMILESCC/C=C(\C)C(CCCCCC)OC(C)(OC)OC
InChIInChI=1S/C16H32O3/c1-7-9-10-11-13-15(14(3)12-8-2)19-16(4,17-5)18-6/h12,15H,7-11,13H2,1-6H3/b14-12+
InChIKeyYBFXDSVLYBTGOY-WYMLVPIESA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.66
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene?
The IUPAC name of (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene (CID 135039643) is (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene.
What is the SMILES notation for (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene?
The canonical SMILES for (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene is CC/C=C(\C)C(CCCCCC)OC(C)(OC)OC.
What is the InChIKey of (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene?
The InChIKey is YBFXDSVLYBTGOY-WYMLVPIESA-N. The full InChI is InChI=1S/C16H32O3/c1-7-9-10-11-13-15(14(3)12-8-2)19-16(4,17-5)18-6/h12,15H,7-11,13H2,1-6H3/b14-12+.
What are the key properties of (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene?
(E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene has a molecular weight of 272.43 g/mol, XLogP of 4.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(1,1-dimethoxyethoxy)-4-methylundec-3-ene is sourced from PubChem (CID 135039643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).