4-methoxy-3,3,5-trimethylhex-1-ene

C10H20O — CID 23385076

IUPAC4-methoxy-3,3,5-trimethylhex-1-ene
SMILESC=CC(C)(C)C(OC)C(C)C
InChIInChI=1S/C10H20O/c1-7-10(4,5)9(11-6)8(2)3/h7-9H,1H2,2-6H3
InChIKeyUDJSMOHMFXUARX-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.87
Rot. Bonds4

About 4-methoxy-3,3,5-trimethylhex-1-ene

4-methoxy-3,3,5-trimethylhex-1-ene (PubChem CID 23385076) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methoxy-3,3,5-trimethylhex-1-ene.

Molecular Properties

Compound Name4-methoxy-3,3,5-trimethylhex-1-ene
PubChem CID23385076
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methoxy-3,3,5-trimethylhex-1-ene
SMILESC=CC(C)(C)C(OC)C(C)C
InChIInChI=1S/C10H20O/c1-7-10(4,5)9(11-6)8(2)3/h7-9H,1H2,2-6H3
InChIKeyUDJSMOHMFXUARX-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.87
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 4-methoxy-3,3,5-trimethylhex-1-ene?
The IUPAC name of 4-methoxy-3,3,5-trimethylhex-1-ene (CID 23385076) is 4-methoxy-3,3,5-trimethylhex-1-ene.
What is the SMILES notation for 4-methoxy-3,3,5-trimethylhex-1-ene?
The canonical SMILES for 4-methoxy-3,3,5-trimethylhex-1-ene is C=CC(C)(C)C(OC)C(C)C.
What is the InChIKey of 4-methoxy-3,3,5-trimethylhex-1-ene?
The InChIKey is UDJSMOHMFXUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-7-10(4,5)9(11-6)8(2)3/h7-9H,1H2,2-6H3.
What are the key properties of 4-methoxy-3,3,5-trimethylhex-1-ene?
4-methoxy-3,3,5-trimethylhex-1-ene has a molecular weight of 156.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3,5-trimethylhex-1-ene is sourced from PubChem (CID 23385076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).