3-methyl-3-propan-2-yloxydodec-1-ene

C16H32O — CID 151251026

IUPAC3-methyl-3-propan-2-yloxydodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OC(C)C
InChIInChI=1S/C16H32O/c1-6-8-9-10-11-12-13-14-16(5,7-2)17-15(3)4/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyNSIDAOMDPHFZKG-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.50
Rot. Bonds11

About 3-methyl-3-propan-2-yloxydodec-1-ene

3-methyl-3-propan-2-yloxydodec-1-ene (PubChem CID 151251026) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-methyl-3-propan-2-yloxydodec-1-ene.

Molecular Properties

Compound Name3-methyl-3-propan-2-yloxydodec-1-ene
PubChem CID151251026
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name3-methyl-3-propan-2-yloxydodec-1-ene
SMILESC=CC(C)(CCCCCCCCC)OC(C)C
InChIInChI=1S/C16H32O/c1-6-8-9-10-11-12-13-14-16(5,7-2)17-15(3)4/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeyNSIDAOMDPHFZKG-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propan-2-yloxydodec-1-ene?
The IUPAC name of 3-methyl-3-propan-2-yloxydodec-1-ene (CID 151251026) is 3-methyl-3-propan-2-yloxydodec-1-ene.
What is the SMILES notation for 3-methyl-3-propan-2-yloxydodec-1-ene?
The canonical SMILES for 3-methyl-3-propan-2-yloxydodec-1-ene is C=CC(C)(CCCCCCCCC)OC(C)C.
What is the InChIKey of 3-methyl-3-propan-2-yloxydodec-1-ene?
The InChIKey is NSIDAOMDPHFZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-6-8-9-10-11-12-13-14-16(5,7-2)17-15(3)4/h7,15H,2,6,8-14H2,1,3-5H3.
What are the key properties of 3-methyl-3-propan-2-yloxydodec-1-ene?
3-methyl-3-propan-2-yloxydodec-1-ene has a molecular weight of 240.43 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propan-2-yloxydodec-1-ene is sourced from PubChem (CID 151251026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).