5-methoxy-4,4,6-trimethylhept-1-ene

C11H22O — CID 23385172

IUPAC5-methoxy-4,4,6-trimethylhept-1-ene
SMILESC=CCC(C)(C)C(OC)C(C)C
InChIInChI=1S/C11H22O/c1-7-8-11(4,5)10(12-6)9(2)3/h7,9-10H,1,8H2,2-6H3
InChIKeyUSZPHWZYZKMQEE-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.26
Rot. Bonds5

About 5-methoxy-4,4,6-trimethylhept-1-ene

5-methoxy-4,4,6-trimethylhept-1-ene (PubChem CID 23385172) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 5-methoxy-4,4,6-trimethylhept-1-ene.

Molecular Properties

Compound Name5-methoxy-4,4,6-trimethylhept-1-ene
PubChem CID23385172
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name5-methoxy-4,4,6-trimethylhept-1-ene
SMILESC=CCC(C)(C)C(OC)C(C)C
InChIInChI=1S/C11H22O/c1-7-8-11(4,5)10(12-6)9(2)3/h7,9-10H,1,8H2,2-6H3
InChIKeyUSZPHWZYZKMQEE-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.26
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-methoxy-4,4,6-trimethylhept-1-ene?
The IUPAC name of 5-methoxy-4,4,6-trimethylhept-1-ene (CID 23385172) is 5-methoxy-4,4,6-trimethylhept-1-ene.
What is the SMILES notation for 5-methoxy-4,4,6-trimethylhept-1-ene?
The canonical SMILES for 5-methoxy-4,4,6-trimethylhept-1-ene is C=CCC(C)(C)C(OC)C(C)C.
What is the InChIKey of 5-methoxy-4,4,6-trimethylhept-1-ene?
The InChIKey is USZPHWZYZKMQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-7-8-11(4,5)10(12-6)9(2)3/h7,9-10H,1,8H2,2-6H3.
What are the key properties of 5-methoxy-4,4,6-trimethylhept-1-ene?
5-methoxy-4,4,6-trimethylhept-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4,4,6-trimethylhept-1-ene is sourced from PubChem (CID 23385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).