5,5-dimethyl-3-prop-2-enoxyhex-1-ene

C11H20O — CID 54483693

IUPAC5,5-dimethyl-3-prop-2-enoxyhex-1-ene
SMILESC=CCOC(C=C)CC(C)(C)C
InChIInChI=1S/C11H20O/c1-6-8-12-10(7-2)9-11(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyXQUQNDDHJWQLGA-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds5

About 5,5-dimethyl-3-prop-2-enoxyhex-1-ene

5,5-dimethyl-3-prop-2-enoxyhex-1-ene (PubChem CID 54483693) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 5,5-dimethyl-3-prop-2-enoxyhex-1-ene.

Molecular Properties

Compound Name5,5-dimethyl-3-prop-2-enoxyhex-1-ene
PubChem CID54483693
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name5,5-dimethyl-3-prop-2-enoxyhex-1-ene
SMILESC=CCOC(C=C)CC(C)(C)C
InChIInChI=1S/C11H20O/c1-6-8-12-10(7-2)9-11(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3
InChIKeyXQUQNDDHJWQLGA-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The IUPAC name of 5,5-dimethyl-3-prop-2-enoxyhex-1-ene (CID 54483693) is 5,5-dimethyl-3-prop-2-enoxyhex-1-ene.
What is the SMILES notation for 5,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The canonical SMILES for 5,5-dimethyl-3-prop-2-enoxyhex-1-ene is C=CCOC(C=C)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-prop-2-enoxyhex-1-ene?
The InChIKey is XQUQNDDHJWQLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-8-12-10(7-2)9-11(3,4)5/h6-7,10H,1-2,8-9H2,3-5H3.
What are the key properties of 5,5-dimethyl-3-prop-2-enoxyhex-1-ene?
5,5-dimethyl-3-prop-2-enoxyhex-1-ene has a molecular weight of 168.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-prop-2-enoxyhex-1-ene is sourced from PubChem (CID 54483693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).