2-methoxy-8,8-dimethylnon-1-ene

C12H24O — CID 58033945

IUPAC2-methoxy-8,8-dimethylnon-1-ene
SMILESC=C(CCCCCC(C)(C)C)OC
InChIInChI=1S/C12H24O/c1-11(13-5)9-7-6-8-10-12(2,3)4/h1,6-10H2,2-5H3
InChIKeyHCUZNHPEGPOBSJ-UHFFFAOYSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds6

About 2-methoxy-8,8-dimethylnon-1-ene

2-methoxy-8,8-dimethylnon-1-ene (PubChem CID 58033945) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methoxy-8,8-dimethylnon-1-ene.

Molecular Properties

Compound Name2-methoxy-8,8-dimethylnon-1-ene
PubChem CID58033945
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methoxy-8,8-dimethylnon-1-ene
SMILESC=C(CCCCCC(C)(C)C)OC
InChIInChI=1S/C12H24O/c1-11(13-5)9-7-6-8-10-12(2,3)4/h1,6-10H2,2-5H3
InChIKeyHCUZNHPEGPOBSJ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8,8-dimethylnon-1-ene?
The IUPAC name of 2-methoxy-8,8-dimethylnon-1-ene (CID 58033945) is 2-methoxy-8,8-dimethylnon-1-ene.
What is the SMILES notation for 2-methoxy-8,8-dimethylnon-1-ene?
The canonical SMILES for 2-methoxy-8,8-dimethylnon-1-ene is C=C(CCCCCC(C)(C)C)OC.
What is the InChIKey of 2-methoxy-8,8-dimethylnon-1-ene?
The InChIKey is HCUZNHPEGPOBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(13-5)9-7-6-8-10-12(2,3)4/h1,6-10H2,2-5H3.
What are the key properties of 2-methoxy-8,8-dimethylnon-1-ene?
2-methoxy-8,8-dimethylnon-1-ene has a molecular weight of 184.32 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8,8-dimethylnon-1-ene is sourced from PubChem (CID 58033945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).