1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol

C16H34O2 — CID 91196919

IUPAC1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol
SMILESCC(C)C(C)(CC(C)(C)C)C(O)OCC(C)(C)C
InChIInChI=1S/C16H34O2/c1-12(2)16(9,10-14(3,4)5)13(17)18-11-15(6,7)8/h12-13,17H,10-11H2,1-9H3
InChIKeyVUGMYBDRLNXDBM-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.47
Rot. Bonds5

About 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol

1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol (PubChem CID 91196919) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol
PubChem CID91196919
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol
SMILESCC(C)C(C)(CC(C)(C)C)C(O)OCC(C)(C)C
InChIInChI=1S/C16H34O2/c1-12(2)16(9,10-14(3,4)5)13(17)18-11-15(6,7)8/h12-13,17H,10-11H2,1-9H3
InChIKeyVUGMYBDRLNXDBM-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol?
The IUPAC name of 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol (CID 91196919) is 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol is CC(C)C(C)(CC(C)(C)C)C(O)OCC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol?
The InChIKey is VUGMYBDRLNXDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2/c1-12(2)16(9,10-14(3,4)5)13(17)18-11-15(6,7)8/h12-13,17H,10-11H2,1-9H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol?
1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol has a molecular weight of 258.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-2,4,4-trimethyl-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 91196919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).