2-methoxy-3,3,4,4-tetramethylhept-1-ene

C12H24O — CID 123423329

IUPAC2-methoxy-3,3,4,4-tetramethylhept-1-ene
SMILESC=C(OC)C(C)(C)C(C)(C)CCC
InChIInChI=1S/C12H24O/c1-8-9-11(3,4)12(5,6)10(2)13-7/h2,8-9H2,1,3-7H3
InChIKeyYIWAEYSTVFTYPJ-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.00
Rot. Bonds5

About 2-methoxy-3,3,4,4-tetramethylhept-1-ene

2-methoxy-3,3,4,4-tetramethylhept-1-ene (PubChem CID 123423329) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methoxy-3,3,4,4-tetramethylhept-1-ene.

Molecular Properties

Compound Name2-methoxy-3,3,4,4-tetramethylhept-1-ene
PubChem CID123423329
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methoxy-3,3,4,4-tetramethylhept-1-ene
SMILESC=C(OC)C(C)(C)C(C)(C)CCC
InChIInChI=1S/C12H24O/c1-8-9-11(3,4)12(5,6)10(2)13-7/h2,8-9H2,1,3-7H3
InChIKeyYIWAEYSTVFTYPJ-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.00
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-3,3,4,4-tetramethylhept-1-ene?
The IUPAC name of 2-methoxy-3,3,4,4-tetramethylhept-1-ene (CID 123423329) is 2-methoxy-3,3,4,4-tetramethylhept-1-ene.
What is the SMILES notation for 2-methoxy-3,3,4,4-tetramethylhept-1-ene?
The canonical SMILES for 2-methoxy-3,3,4,4-tetramethylhept-1-ene is C=C(OC)C(C)(C)C(C)(C)CCC.
What is the InChIKey of 2-methoxy-3,3,4,4-tetramethylhept-1-ene?
The InChIKey is YIWAEYSTVFTYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8-9-11(3,4)12(5,6)10(2)13-7/h2,8-9H2,1,3-7H3.
What are the key properties of 2-methoxy-3,3,4,4-tetramethylhept-1-ene?
2-methoxy-3,3,4,4-tetramethylhept-1-ene has a molecular weight of 184.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3,4,4-tetramethylhept-1-ene is sourced from PubChem (CID 123423329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).