(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene

C16H30O — CID 88509911

IUPAC(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene
SMILESCC/C=C(/O/C(=C/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3/b13-11+,14-12+
InChIKeyOXRDSPMLAYEIDU-PHEQNACWSA-N
MW238.41 g/mol
LogP5.68
Rot. Bonds4

About (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene

(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene (PubChem CID 88509911) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene.

Molecular Properties

Compound Name(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene
PubChem CID88509911
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene
SMILESCC/C=C(/O/C(=C/CC)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3/b13-11+,14-12+
InChIKeyOXRDSPMLAYEIDU-PHEQNACWSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene?
The IUPAC name of (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene (CID 88509911) is (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene.
What is the SMILES notation for (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene?
The canonical SMILES for (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene is CC/C=C(/O/C(=C/CC)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene?
The InChIKey is OXRDSPMLAYEIDU-PHEQNACWSA-N. The full InChI is InChI=1S/C16H30O/c1-9-11-13(15(3,4)5)17-14(12-10-2)16(6,7)8/h11-12H,9-10H2,1-8H3/b13-11+,14-12+.
What are the key properties of (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene?
(E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene has a molecular weight of 238.41 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-2,2-dimethylhex-3-en-3-yl]oxy-2,2-dimethylhex-3-ene is sourced from PubChem (CID 88509911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).