3-ethyldodecan-3-ol

C14H30O — CID 4116638

IUPAC3-ethyldodecan-3-ol
SMILESCCCCCCCCCC(O)(CC)CC
InChIInChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyIRFVXTHHHPLIOE-UHFFFAOYSA-N
MW214.39 g/mol
LogP4.68
Rot. Bonds10

About 3-ethyldodecan-3-ol

3-ethyldodecan-3-ol (PubChem CID 4116638) has the molecular formula C14H30O and a molecular weight of 214.39 g/mol. Its IUPAC name is 3-ethyldodecan-3-ol.

Molecular Properties

Compound Name3-ethyldodecan-3-ol
PubChem CID4116638
Molecular FormulaC14H30O
Molecular Weight214.39 g/mol
Exact Mass214.23
IUPAC Name3-ethyldodecan-3-ol
SMILESCCCCCCCCCC(O)(CC)CC
InChIInChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyIRFVXTHHHPLIOE-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.39
LogP ≤ 54.68
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

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
2,4-Dimethyl-4-nonanol
CID 3018500
3-Methyl-3-octanol
CID 21432
1-Ethylcyclohexanol
CID 16021
1-Propyl-1-cyclopentanol
CID 98267
2,7-Dimethyl-2,7-octanediol
CID 140597

Frequently Asked Questions

What is the IUPAC name of 3-ethyldodecan-3-ol?
The IUPAC name of 3-ethyldodecan-3-ol (CID 4116638) is 3-ethyldodecan-3-ol.
What is the SMILES notation for 3-ethyldodecan-3-ol?
The canonical SMILES for 3-ethyldodecan-3-ol is CCCCCCCCCC(O)(CC)CC.
What is the InChIKey of 3-ethyldodecan-3-ol?
The InChIKey is IRFVXTHHHPLIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3.
What are the key properties of 3-ethyldodecan-3-ol?
3-ethyldodecan-3-ol has a molecular weight of 214.39 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyldodecan-3-ol is sourced from PubChem (CID 4116638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).