3-methoxy-3,7-dimethyldec-1-ene

C13H26O — CID 118474483

IUPAC3-methoxy-3,7-dimethyldec-1-ene
SMILESC=CC(C)(CCCC(C)CCC)OC
InChIInChI=1S/C13H26O/c1-6-9-12(3)10-8-11-13(4,7-2)14-5/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyLTDARNSEKKTWRC-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.18
Rot. Bonds8

About 3-methoxy-3,7-dimethyldec-1-ene

3-methoxy-3,7-dimethyldec-1-ene (PubChem CID 118474483) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-methoxy-3,7-dimethyldec-1-ene.

Molecular Properties

Compound Name3-methoxy-3,7-dimethyldec-1-ene
PubChem CID118474483
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name3-methoxy-3,7-dimethyldec-1-ene
SMILESC=CC(C)(CCCC(C)CCC)OC
InChIInChI=1S/C13H26O/c1-6-9-12(3)10-8-11-13(4,7-2)14-5/h7,12H,2,6,8-11H2,1,3-5H3
InChIKeyLTDARNSEKKTWRC-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.18
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 3-methoxy-3,7-dimethyldec-1-ene?
The IUPAC name of 3-methoxy-3,7-dimethyldec-1-ene (CID 118474483) is 3-methoxy-3,7-dimethyldec-1-ene.
What is the SMILES notation for 3-methoxy-3,7-dimethyldec-1-ene?
The canonical SMILES for 3-methoxy-3,7-dimethyldec-1-ene is C=CC(C)(CCCC(C)CCC)OC.
What is the InChIKey of 3-methoxy-3,7-dimethyldec-1-ene?
The InChIKey is LTDARNSEKKTWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-6-9-12(3)10-8-11-13(4,7-2)14-5/h7,12H,2,6,8-11H2,1,3-5H3.
What are the key properties of 3-methoxy-3,7-dimethyldec-1-ene?
3-methoxy-3,7-dimethyldec-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,7-dimethyldec-1-ene is sourced from PubChem (CID 118474483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).