1-(2,3-dimethylbutan-2-yloxy)decane

C16H34O — CID 172756117

IUPAC1-(2,3-dimethylbutan-2-yloxy)decane
SMILESCCCCCCCCCCOC(C)(C)C(C)C
InChIInChI=1S/C16H34O/c1-6-7-8-9-10-11-12-13-14-17-16(4,5)15(2)3/h15H,6-14H2,1-5H3
InChIKeyLAUCOXBAWSCSHT-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.58
Rot. Bonds11

About 1-(2,3-dimethylbutan-2-yloxy)decane

1-(2,3-dimethylbutan-2-yloxy)decane (PubChem CID 172756117) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-(2,3-dimethylbutan-2-yloxy)decane.

Molecular Properties

Compound Name1-(2,3-dimethylbutan-2-yloxy)decane
PubChem CID172756117
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name1-(2,3-dimethylbutan-2-yloxy)decane
SMILESCCCCCCCCCCOC(C)(C)C(C)C
InChIInChI=1S/C16H34O/c1-6-7-8-9-10-11-12-13-14-17-16(4,5)15(2)3/h15H,6-14H2,1-5H3
InChIKeyLAUCOXBAWSCSHT-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.58
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

2-(2-butoxyethoxy)-2,3-dimethylbutane
CID 175016826
3-methyl-2,3-dioctadecoxybutan-1-amine
CID 146317626
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
azane;2-dodecoxypropan-2-ol
CID 87960511
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564
2-decoxy-2-methylbutan-1-ol
CID 152517276
1-(trichloromethoxy)hexane
CID 87956638
propan-2-yl 2,2-didodecoxypropanoate
CID 20559771
N,N-dimethyl-2,3-dioctoxybutan-2-amine
CID 141320340
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)decane?
The IUPAC name of 1-(2,3-dimethylbutan-2-yloxy)decane (CID 172756117) is 1-(2,3-dimethylbutan-2-yloxy)decane.
What is the SMILES notation for 1-(2,3-dimethylbutan-2-yloxy)decane?
The canonical SMILES for 1-(2,3-dimethylbutan-2-yloxy)decane is CCCCCCCCCCOC(C)(C)C(C)C.
What is the InChIKey of 1-(2,3-dimethylbutan-2-yloxy)decane?
The InChIKey is LAUCOXBAWSCSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-6-7-8-9-10-11-12-13-14-17-16(4,5)15(2)3/h15H,6-14H2,1-5H3.
What are the key properties of 1-(2,3-dimethylbutan-2-yloxy)decane?
1-(2,3-dimethylbutan-2-yloxy)decane has a molecular weight of 242.45 g/mol, XLogP of 5.58, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbutan-2-yloxy)decane is sourced from PubChem (CID 172756117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).