10,10-dimethoxy-2-methyldecan-2-ol

C13H28O3 — CID 130303246

IUPAC10,10-dimethoxy-2-methyldecan-2-ol
SMILESCOC(CCCCCCCC(C)(C)O)OC
InChIInChI=1S/C13H28O3/c1-13(2,14)11-9-7-5-6-8-10-12(15-3)16-4/h12,14H,5-11H2,1-4H3
InChIKeyITTQQDJWSVLFPC-UHFFFAOYSA-N
MW232.36 g/mol
LogP3.11
Rot. Bonds10

About 10,10-dimethoxy-2-methyldecan-2-ol

10,10-dimethoxy-2-methyldecan-2-ol (PubChem CID 130303246) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 10,10-dimethoxy-2-methyldecan-2-ol.

Molecular Properties

Compound Name10,10-dimethoxy-2-methyldecan-2-ol
PubChem CID130303246
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name10,10-dimethoxy-2-methyldecan-2-ol
SMILESCOC(CCCCCCCC(C)(C)O)OC
InChIInChI=1S/C13H28O3/c1-13(2,14)11-9-7-5-6-8-10-12(15-3)16-4/h12,14H,5-11H2,1-4H3
InChIKeyITTQQDJWSVLFPC-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethoxy-2-methyldecan-2-ol?
The IUPAC name of 10,10-dimethoxy-2-methyldecan-2-ol (CID 130303246) is 10,10-dimethoxy-2-methyldecan-2-ol.
What is the SMILES notation for 10,10-dimethoxy-2-methyldecan-2-ol?
The canonical SMILES for 10,10-dimethoxy-2-methyldecan-2-ol is COC(CCCCCCCC(C)(C)O)OC.
What is the InChIKey of 10,10-dimethoxy-2-methyldecan-2-ol?
The InChIKey is ITTQQDJWSVLFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-13(2,14)11-9-7-5-6-8-10-12(15-3)16-4/h12,14H,5-11H2,1-4H3.
What are the key properties of 10,10-dimethoxy-2-methyldecan-2-ol?
10,10-dimethoxy-2-methyldecan-2-ol has a molecular weight of 232.36 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethoxy-2-methyldecan-2-ol is sourced from PubChem (CID 130303246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).