2-methoxy-6,6-dimethylhept-1-ene

C10H20O — CID 58033973

IUPAC2-methoxy-6,6-dimethylhept-1-ene
SMILESC=C(CCCC(C)(C)C)OC
InChIInChI=1S/C10H20O/c1-9(11-5)7-6-8-10(2,3)4/h1,6-8H2,2-5H3
InChIKeyOBHYYIPNKWACPI-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds4

About 2-methoxy-6,6-dimethylhept-1-ene

2-methoxy-6,6-dimethylhept-1-ene (PubChem CID 58033973) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methoxy-6,6-dimethylhept-1-ene.

Molecular Properties

Compound Name2-methoxy-6,6-dimethylhept-1-ene
PubChem CID58033973
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2-methoxy-6,6-dimethylhept-1-ene
SMILESC=C(CCCC(C)(C)C)OC
InChIInChI=1S/C10H20O/c1-9(11-5)7-6-8-10(2,3)4/h1,6-8H2,2-5H3
InChIKeyOBHYYIPNKWACPI-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6,6-dimethylhept-1-ene?
The IUPAC name of 2-methoxy-6,6-dimethylhept-1-ene (CID 58033973) is 2-methoxy-6,6-dimethylhept-1-ene.
What is the SMILES notation for 2-methoxy-6,6-dimethylhept-1-ene?
The canonical SMILES for 2-methoxy-6,6-dimethylhept-1-ene is C=C(CCCC(C)(C)C)OC.
What is the InChIKey of 2-methoxy-6,6-dimethylhept-1-ene?
The InChIKey is OBHYYIPNKWACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(11-5)7-6-8-10(2,3)4/h1,6-8H2,2-5H3.
What are the key properties of 2-methoxy-6,6-dimethylhept-1-ene?
2-methoxy-6,6-dimethylhept-1-ene has a molecular weight of 156.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6,6-dimethylhept-1-ene is sourced from PubChem (CID 58033973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).