2-methyldodecan-2-ol

C13H28O — CID 547702

IUPAC2-methyldodecan-2-ol
SMILESCCCCCCCCCCC(C)(C)O
InChIInChI=1S/C13H28O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-12H2,1-3H3
InChIKeyYVVFTTGYNOVKSI-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.29
Rot. Bonds9

About 2-methyldodecan-2-ol

2-methyldodecan-2-ol (PubChem CID 547702) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-methyldodecan-2-ol.

Molecular Properties

Compound Name2-methyldodecan-2-ol
PubChem CID547702
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name2-methyldodecan-2-ol
SMILESCCCCCCCCCCC(C)(C)O
InChIInChI=1S/C13H28O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-12H2,1-3H3
InChIKeyYVVFTTGYNOVKSI-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyldodecan-2-ol?
The IUPAC name of 2-methyldodecan-2-ol (CID 547702) is 2-methyldodecan-2-ol.
What is the SMILES notation for 2-methyldodecan-2-ol?
The canonical SMILES for 2-methyldodecan-2-ol is CCCCCCCCCCC(C)(C)O.
What is the InChIKey of 2-methyldodecan-2-ol?
The InChIKey is YVVFTTGYNOVKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-4-5-6-7-8-9-10-11-12-13(2,3)14/h14H,4-12H2,1-3H3.
What are the key properties of 2-methyldodecan-2-ol?
2-methyldodecan-2-ol has a molecular weight of 200.37 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldodecan-2-ol is sourced from PubChem (CID 547702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).