1-(4-methylpentan-2-yloxy)dodecane

C18H38O — CID 15431041

IUPAC1-(4-methylpentan-2-yloxy)dodecane
SMILESCCCCCCCCCCCCOC(C)CC(C)C
InChIInChI=1S/C18H38O/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(4)16-17(2)3/h17-18H,5-16H2,1-4H3
InChIKeyRAMPWHQGQGEUMB-UHFFFAOYSA-N
MW270.50 g/mol
LogP6.36
Rot. Bonds14

About 1-(4-methylpentan-2-yloxy)dodecane

1-(4-methylpentan-2-yloxy)dodecane (PubChem CID 15431041) has the molecular formula C18H38O and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)dodecane.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)dodecane
PubChem CID15431041
Molecular FormulaC18H38O
Molecular Weight270.50 g/mol
Exact Mass270.29
IUPAC Name1-(4-methylpentan-2-yloxy)dodecane
SMILESCCCCCCCCCCCCOC(C)CC(C)C
InChIInChI=1S/C18H38O/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(4)16-17(2)3/h17-18H,5-16H2,1-4H3
InChIKeyRAMPWHQGQGEUMB-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.50
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpentan-2-yloxy)ethyl]hexan-1-amine
CID 62572811
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-heptacontoxyethanol
CID 169098461
methane;2-octadecoxypropan-1-ol
CID 178185801
1-(2-hexoxypropoxy)hexane
CID 71353992
3-hexoxybutanoic acid
CID 43536148
4-heptoxypentan-2-one
CID 64698347
1-(3-dodecoxybutoxy)dodecane
CID 173358855

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)dodecane?
The IUPAC name of 1-(4-methylpentan-2-yloxy)dodecane (CID 15431041) is 1-(4-methylpentan-2-yloxy)dodecane.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)dodecane?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)dodecane is CCCCCCCCCCCCOC(C)CC(C)C.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)dodecane?
The InChIKey is RAMPWHQGQGEUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O/c1-5-6-7-8-9-10-11-12-13-14-15-19-18(4)16-17(2)3/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)dodecane?
1-(4-methylpentan-2-yloxy)dodecane has a molecular weight of 270.50 g/mol, XLogP of 6.36, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)dodecane is sourced from PubChem (CID 15431041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).