3-ethyl-4-pentyldodecan-3-ol

C19H40O — CID 91804160

IUPAC3-ethyl-4-pentyldodecan-3-ol
SMILESCCCCCCCCC(CCCCC)C(O)(CC)CC
InChIInChI=1S/C19H40O/c1-5-9-11-12-13-15-17-18(16-14-10-6-2)19(20,7-3)8-4/h18,20H,5-17H2,1-4H3
InChIKeyKJPBACPIQKGFEZ-UHFFFAOYSA-N
MW284.53 g/mol
LogP6.48
Rot. Bonds14

About 3-ethyl-4-pentyldodecan-3-ol

3-ethyl-4-pentyldodecan-3-ol (PubChem CID 91804160) has the molecular formula C19H40O and a molecular weight of 284.53 g/mol. Its IUPAC name is 3-ethyl-4-pentyldodecan-3-ol.

Molecular Properties

Compound Name3-ethyl-4-pentyldodecan-3-ol
PubChem CID91804160
Molecular FormulaC19H40O
Molecular Weight284.53 g/mol
Exact Mass284.31
IUPAC Name3-ethyl-4-pentyldodecan-3-ol
SMILESCCCCCCCCC(CCCCC)C(O)(CC)CC
InChIInChI=1S/C19H40O/c1-5-9-11-12-13-15-17-18(16-14-10-6-2)19(20,7-3)8-4/h18,20H,5-17H2,1-4H3
InChIKeyKJPBACPIQKGFEZ-UHFFFAOYSA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.53
LogP ≤ 56.48
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-pentyloctadecan-9-ol
CID 90871150
10-butyl-9-octyloctadecan-9-ol
CID 91405283
5,6-dibutyldodecan-5-ol
CID 91807952
16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
3-ethyl-4-methyldodecan-3-ol
CID 173066950
4-ethylundecane-3,3-diol
CID 156789030
azanium;4-benzyl-3-ethylhexadecan-3-ol;chloride
CID 159602432
4-hexyl-2-methyl-3-propan-2-yldodecan-3-ol
CID 170161295
3-ethyl-2-methylundecan-2-ol
CID 91236413
4-heptyl-2-methyl-3-propan-2-yldocosan-3-ol
CID 150620185
4-hexyl-3-(trifluoromethyl)decan-3-ol
CID 155261685
(2R)-3-hexyl-2-methyldecane-1,2-diol
CID 135254378

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-pentyldodecan-3-ol?
The IUPAC name of 3-ethyl-4-pentyldodecan-3-ol (CID 91804160) is 3-ethyl-4-pentyldodecan-3-ol.
What is the SMILES notation for 3-ethyl-4-pentyldodecan-3-ol?
The canonical SMILES for 3-ethyl-4-pentyldodecan-3-ol is CCCCCCCCC(CCCCC)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-4-pentyldodecan-3-ol?
The InChIKey is KJPBACPIQKGFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O/c1-5-9-11-12-13-15-17-18(16-14-10-6-2)19(20,7-3)8-4/h18,20H,5-17H2,1-4H3.
What are the key properties of 3-ethyl-4-pentyldodecan-3-ol?
3-ethyl-4-pentyldodecan-3-ol has a molecular weight of 284.53 g/mol, XLogP of 6.48, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-pentyldodecan-3-ol is sourced from PubChem (CID 91804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).