(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene

C12H22O2 — CID 143332871

IUPAC(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene
SMILESCC/C=C(\CC)OCO/C=C/C(C)C
InChIInChI=1S/C12H22O2/c1-5-7-12(6-2)14-10-13-9-8-11(3)4/h7-9,11H,5-6,10H2,1-4H3/b9-8+,12-7+
InChIKeyZQMJTQCLHZITSA-RUQWLHCNSA-N
MW198.31 g/mol
LogP3.85
Rot. Bonds7

About (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene

(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene (PubChem CID 143332871) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene.

Molecular Properties

Compound Name(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene
PubChem CID143332871
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene
SMILESCC/C=C(\CC)OCO/C=C/C(C)C
InChIInChI=1S/C12H22O2/c1-5-7-12(6-2)14-10-13-9-8-11(3)4/h7-9,11H,5-6,10H2,1-4H3/b9-8+,12-7+
InChIKeyZQMJTQCLHZITSA-RUQWLHCNSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]pent-2-ene
CID 142815355
4-(ethylamino)-2,3-dimethylbenzonitrile;(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene
CID 143332870
(Z)-4-methoxy-6-methylhept-3-ene
CID 12705644
hex-3-en-3-yl hydrogen carbonate
CID 87144135
(3E,5Z)-7-methyl-N-propan-2-ylocta-3,5-dien-4-amine
CID 143792641
(Z)-hex-3-en-3-amine
CID 18331654
2-[(Z)-3-methylbut-1-enoxy]hex-1-ene
CID 177189720
acetylene;ethane;(Z)-3-ethenoxyhex-3-ene
CID 143386947
1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine
CID 155106551
N,N-dimethyl-3-(3-methylbut-1-enoxy)propan-1-amine
CID 90709463
(Z)-3-methoxy-5,6-dimethylhept-3-ene
CID 143080239
ethyl [(E)-4-methylpent-2-enyl] carbonate
CID 101429850

Frequently Asked Questions

What is the IUPAC name of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene?
The IUPAC name of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene (CID 143332871) is (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene.
What is the SMILES notation for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene?
The canonical SMILES for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene is CC/C=C(\CC)OCO/C=C/C(C)C.
What is the InChIKey of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene?
The InChIKey is ZQMJTQCLHZITSA-RUQWLHCNSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-7-12(6-2)14-10-13-9-8-11(3)4/h7-9,11H,5-6,10H2,1-4H3/b9-8+,12-7+.
What are the key properties of (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene?
(E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene has a molecular weight of 198.31 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(E)-3-methylbut-1-enoxy]methoxy]hex-3-ene is sourced from PubChem (CID 143332871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).