1,1-dimethoxy-2,5,5-trimethylhexan-2-ol

C11H24O3 — CID 66038611

IUPAC1,1-dimethoxy-2,5,5-trimethylhexan-2-ol
SMILESCOC(OC)C(C)(O)CCC(C)(C)C
InChIInChI=1S/C11H24O3/c1-10(2,3)7-8-11(4,12)9(13-5)14-6/h9,12H,7-8H2,1-6H3
InChIKeyAUELYUINRMULHL-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.18
Rot. Bonds5

About 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol

1,1-dimethoxy-2,5,5-trimethylhexan-2-ol (PubChem CID 66038611) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2,5,5-trimethylhexan-2-ol
PubChem CID66038611
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1,1-dimethoxy-2,5,5-trimethylhexan-2-ol
SMILESCOC(OC)C(C)(O)CCC(C)(C)C
InChIInChI=1S/C11H24O3/c1-10(2,3)7-8-11(4,12)9(13-5)14-6/h9,12H,7-8H2,1-6H3
InChIKeyAUELYUINRMULHL-UHFFFAOYSA-N
XLogP2.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol?
The IUPAC name of 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol (CID 66038611) is 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol is COC(OC)C(C)(O)CCC(C)(C)C.
What is the InChIKey of 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol?
The InChIKey is AUELYUINRMULHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-10(2,3)7-8-11(4,12)9(13-5)14-6/h9,12H,7-8H2,1-6H3.
What are the key properties of 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol?
1,1-dimethoxy-2,5,5-trimethylhexan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2,5,5-trimethylhexan-2-ol is sourced from PubChem (CID 66038611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).