2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene

C12H20O — CID 130372719

IUPAC2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C(\C)C(=C)C
InChIInChI=1S/C12H20O/c1-6-7-8-12(5)13-9-11(4)10(2)3/h9H,2,5-8H2,1,3-4H3/b11-9+
InChIKeyFDHYGHATGGGXKM-PKNBQFBNSA-N
MW180.29 g/mol
LogP4.19
Rot. Bonds6

About 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene

2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene (PubChem CID 130372719) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene.

Molecular Properties

Compound Name2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene
PubChem CID130372719
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene
SMILESC=C(CCCC)O/C=C(\C)C(=C)C
InChIInChI=1S/C12H20O/c1-6-7-8-12(5)13-9-11(4)10(2)3/h9H,2,5-8H2,1,3-4H3/b11-9+
InChIKeyFDHYGHATGGGXKM-PKNBQFBNSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-3-methylbut-1-enoxy]hex-1-ene
CID 177189720
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
2-methylhex-1-ene
CID 158402499
methyl 2-methyl-3-[2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoyl]oxyhept-2-enoate
CID 175496726
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
octadecyl (E)-2-methyl-3-(2-methylprop-2-enoyloxy)prop-2-enoate
CID 139632797
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
magnesium;hydride;2-methyl-3-octanoyloxyprop-2-enoic acid
CID 173046305
2-icos-1-en-2-yloxyethanol
CID 141375140
2-methoxyicos-1-ene
CID 175283491
2-hept-1-en-2-yloxyethyl 2-methylprop-2-enoate
CID 169002157
1-hex-1-en-2-ylperoxyhexane
CID 59929364

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene?
The IUPAC name of 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene (CID 130372719) is 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene.
What is the SMILES notation for 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene?
The canonical SMILES for 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene is C=C(CCCC)O/C=C(\C)C(=C)C.
What is the InChIKey of 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene?
The InChIKey is FDHYGHATGGGXKM-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H20O/c1-6-7-8-12(5)13-9-11(4)10(2)3/h9H,2,5-8H2,1,3-4H3/b11-9+.
What are the key properties of 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene?
2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene has a molecular weight of 180.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-2,3-dimethylbuta-1,3-dienoxy]hex-1-ene is sourced from PubChem (CID 130372719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).