(E)-5-methoxy-6,6-dimethylhept-2-ene

C10H20O — CID 134995972

IUPAC(E)-5-methoxy-6,6-dimethylhept-2-ene
SMILESC/C=C/CC(OC)C(C)(C)C
InChIInChI=1S/C10H20O/c1-6-7-8-9(11-5)10(2,3)4/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyTWMRIRBEJJUWNG-VOTSOKGWSA-N
MW156.27 g/mol
LogP3.01
Rot. Bonds3

About (E)-5-methoxy-6,6-dimethylhept-2-ene

(E)-5-methoxy-6,6-dimethylhept-2-ene (PubChem CID 134995972) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (E)-5-methoxy-6,6-dimethylhept-2-ene.

Molecular Properties

Compound Name(E)-5-methoxy-6,6-dimethylhept-2-ene
PubChem CID134995972
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(E)-5-methoxy-6,6-dimethylhept-2-ene
SMILESC/C=C/CC(OC)C(C)(C)C
InChIInChI=1S/C10H20O/c1-6-7-8-9(11-5)10(2,3)4/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyTWMRIRBEJJUWNG-VOTSOKGWSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.01
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 (E)-5-methoxy-6,6-dimethylhept-2-ene?
The IUPAC name of (E)-5-methoxy-6,6-dimethylhept-2-ene (CID 134995972) is (E)-5-methoxy-6,6-dimethylhept-2-ene.
What is the SMILES notation for (E)-5-methoxy-6,6-dimethylhept-2-ene?
The canonical SMILES for (E)-5-methoxy-6,6-dimethylhept-2-ene is C/C=C/CC(OC)C(C)(C)C.
What is the InChIKey of (E)-5-methoxy-6,6-dimethylhept-2-ene?
The InChIKey is TWMRIRBEJJUWNG-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O/c1-6-7-8-9(11-5)10(2,3)4/h6-7,9H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-5-methoxy-6,6-dimethylhept-2-ene?
(E)-5-methoxy-6,6-dimethylhept-2-ene has a molecular weight of 156.27 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-6,6-dimethylhept-2-ene is sourced from PubChem (CID 134995972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).