7-ethyl-2-methyldodecan-4-ol

C15H32O — CID 171564250

IUPAC7-ethyl-2-methyldodecan-4-ol
SMILESCCCCCC(CC)CCC(O)CC(C)C
InChIInChI=1S/C15H32O/c1-5-7-8-9-14(6-2)10-11-15(16)12-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyHPTIZGRATKYJEL-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds10

About 7-ethyl-2-methyldodecan-4-ol

7-ethyl-2-methyldodecan-4-ol (PubChem CID 171564250) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 7-ethyl-2-methyldodecan-4-ol.

Molecular Properties

Compound Name7-ethyl-2-methyldodecan-4-ol
PubChem CID171564250
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name7-ethyl-2-methyldodecan-4-ol
SMILESCCCCCC(CC)CCC(O)CC(C)C
InChIInChI=1S/C15H32O/c1-5-7-8-9-14(6-2)10-11-15(16)12-13(3)4/h13-16H,5-12H2,1-4H3
InChIKeyHPTIZGRATKYJEL-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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

(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
(4S)-2-methylnonan-4-ol
CID 86308805
4-ethyl-2-methyldecane
CID 19893744
(6R,9R)-3,9-diethyltridecan-6-ol
CID 86308442
3,6-diethylundecane
CID 22051817
5,8,10-triethylpentadecane
CID 123791231
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
9-hexylheptadecan-7-ol
CID 19871685
azane;3-ethylhenicosan-1-ol
CID 174815540

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyldodecan-4-ol?
The IUPAC name of 7-ethyl-2-methyldodecan-4-ol (CID 171564250) is 7-ethyl-2-methyldodecan-4-ol.
What is the SMILES notation for 7-ethyl-2-methyldodecan-4-ol?
The canonical SMILES for 7-ethyl-2-methyldodecan-4-ol is CCCCCC(CC)CCC(O)CC(C)C.
What is the InChIKey of 7-ethyl-2-methyldodecan-4-ol?
The InChIKey is HPTIZGRATKYJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-7-8-9-14(6-2)10-11-15(16)12-13(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 7-ethyl-2-methyldodecan-4-ol?
7-ethyl-2-methyldodecan-4-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyldodecan-4-ol is sourced from PubChem (CID 171564250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).