(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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Related Compounds

1-chloro-5-propan-2-yloxypent-2-ene
CID 54043382
(E)-2,2-dimethylhept-3-ene
CID 5352650
2,2-dimethyl-8-[(2-methylpropan-2-yl)oxy]non-3-ene
CID 123576567
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451
2,2-dimethyl-4-propan-2-yloxybutan-1-ol
CID 66023618
1-[(E)-3,3-dimethylbut-1-enyl]-3-(3-propan-2-yloxypropyl)urea
CID 108911431
(E)-4,4-dimethyl-1-(2-methylpropoxy)pent-2-ene
CID 171766956
(6R)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 123712551
2-(2-ethenoxyethoxy)propane
CID 14510947
2-methyl-2-(2-propan-2-yloxyethyl)but-3-en-1-amine
CID 102640415
(E)-2,7,7-trimethyl-8-propan-2-yloxyoct-3-ene
CID 89254940
1-(1-propoxyethoxy)hex-3-ene
CID 3022828

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).