4,7-diethyldodecan-6-ol

C16H34O — CID 545879

IUPAC4,7-diethyldodecan-6-ol
SMILESCCCCCC(CC)C(O)CC(CC)CCC
InChIInChI=1S/C16H34O/c1-5-9-10-12-15(8-4)16(17)13-14(7-3)11-6-2/h14-17H,5-13H2,1-4H3
InChIKeyOSGZPPIHWAXBGA-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.17
Rot. Bonds11

About 4,7-diethyldodecan-6-ol

4,7-diethyldodecan-6-ol (PubChem CID 545879) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 4,7-diethyldodecan-6-ol.

Molecular Properties

Compound Name4,7-diethyldodecan-6-ol
PubChem CID545879
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name4,7-diethyldodecan-6-ol
SMILESCCCCCC(CC)C(O)CC(CC)CCC
InChIInChI=1S/C16H34O/c1-5-9-10-12-15(8-4)16(17)13-14(7-3)11-6-2/h14-17H,5-13H2,1-4H3
InChIKeyOSGZPPIHWAXBGA-UHFFFAOYSA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.17
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

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CID 135150430
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CID 91407819
6-ethyloctadecan-7-ol
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4-ethyl-6-propyltetradecane
CID 91553020
4-ethyl-6-propyltridecane
CID 90859634
8-ethyl-10-propyloctadecane
CID 91006189
4-ethyl-2-pentylheptan-1-ol
CID 23315856
4-ethylnonadecane-1,3-diol
CID 57082750
2-ethylheptane-1,1-diol
CID 54525502
5-ethyl-2-iodononan-4-ol
CID 118984335
2-ethyltetradecane-1,1-diol
CID 123855382
5-ethylnonane-2,3-diol
CID 87935287

Frequently Asked Questions

What is the IUPAC name of 4,7-diethyldodecan-6-ol?
The IUPAC name of 4,7-diethyldodecan-6-ol (CID 545879) is 4,7-diethyldodecan-6-ol.
What is the SMILES notation for 4,7-diethyldodecan-6-ol?
The canonical SMILES for 4,7-diethyldodecan-6-ol is CCCCCC(CC)C(O)CC(CC)CCC.
What is the InChIKey of 4,7-diethyldodecan-6-ol?
The InChIKey is OSGZPPIHWAXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-5-9-10-12-15(8-4)16(17)13-14(7-3)11-6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 4,7-diethyldodecan-6-ol?
4,7-diethyldodecan-6-ol has a molecular weight of 242.45 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diethyldodecan-6-ol is sourced from PubChem (CID 545879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).