(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene

C11H22O — CID 89254898

IUPAC(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
SMILESCC(C)OCC/C=C/C(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2)12-9-7-6-8-11(3,4)5/h6,8,10H,7,9H2,1-5H3/b8-6+
InChIKeySFYMKYHMNSJASX-SOFGYWHQSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds4

About (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene

(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene (PubChem CID 89254898) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene.

Molecular Properties

Compound Name(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
PubChem CID89254898
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene
SMILESCC(C)OCC/C=C/C(C)(C)C
InChIInChI=1S/C11H22O/c1-10(2)12-9-7-6-8-11(3,4)5/h6,8,10H,7,9H2,1-5H3/b8-6+
InChIKeySFYMKYHMNSJASX-SOFGYWHQSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene?
The IUPAC name of (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene (CID 89254898) is (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene.
What is the SMILES notation for (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene?
The canonical SMILES for (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene is CC(C)OCC/C=C/C(C)(C)C.
What is the InChIKey of (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene?
The InChIKey is SFYMKYHMNSJASX-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)12-9-7-6-8-11(3,4)5/h6,8,10H,7,9H2,1-5H3/b8-6+.
What are the key properties of (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene?
(E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethyl-1-propan-2-yloxyhex-3-ene is sourced from PubChem (CID 89254898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).