3-ethyl-4-methyldodecan-3-ol

C15H32O — CID 173066950

IUPAC3-ethyl-4-methyldodecan-3-ol
SMILESCCCCCCCCC(C)C(O)(CC)CC
InChIInChI=1S/C15H32O/c1-5-8-9-10-11-12-13-14(4)15(16,6-2)7-3/h14,16H,5-13H2,1-4H3
InChIKeyFYVWKNNKWSGERE-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.92
Rot. Bonds10

About 3-ethyl-4-methyldodecan-3-ol

3-ethyl-4-methyldodecan-3-ol (PubChem CID 173066950) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-ethyl-4-methyldodecan-3-ol.

Molecular Properties

Compound Name3-ethyl-4-methyldodecan-3-ol
PubChem CID173066950
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3-ethyl-4-methyldodecan-3-ol
SMILESCCCCCCCCC(C)C(O)(CC)CC
InChIInChI=1S/C15H32O/c1-5-8-9-10-11-12-13-14(4)15(16,6-2)7-3/h14,16H,5-13H2,1-4H3
InChIKeyFYVWKNNKWSGERE-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.92
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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Related Compounds

9-butyl-10-methyloctadecan-9-ol
CID 173066845
4-methyldodecane-3,3-diol
CID 152575890
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
2-amino-3-methylheptadecan-2-ol
CID 88695872
2,3,3,4-tetramethylnonadecane
CID 174953704
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
CID 173417592
2,2,3-trimethylundecane
CID 21285055
3-ethyl-4-methylicosan-3-amine
CID 88992847
3-ethyl-2-methylnonan-3-ol
CID 65146597
2-heptadecan-2-yl-2-(hydroxymethyl)propane-1,3-diol
CID 175092551
5,6-dimethyl-5-propyltridecane-4,4-diol
CID 175779679
2-aminosulfanyl-3-methylpentadecan-2-ol
CID 175094628

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyldodecan-3-ol?
The IUPAC name of 3-ethyl-4-methyldodecan-3-ol (CID 173066950) is 3-ethyl-4-methyldodecan-3-ol.
What is the SMILES notation for 3-ethyl-4-methyldodecan-3-ol?
The canonical SMILES for 3-ethyl-4-methyldodecan-3-ol is CCCCCCCCC(C)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-4-methyldodecan-3-ol?
The InChIKey is FYVWKNNKWSGERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-8-9-10-11-12-13-14(4)15(16,6-2)7-3/h14,16H,5-13H2,1-4H3.
What are the key properties of 3-ethyl-4-methyldodecan-3-ol?
3-ethyl-4-methyldodecan-3-ol has a molecular weight of 228.42 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyldodecan-3-ol is sourced from PubChem (CID 173066950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).