4,4-dibutyldodecan-1-ol

C20H42O — CID 87374441

IUPAC4,4-dibutyldodecan-1-ol
SMILESCCCCCCCCC(CCCC)(CCCC)CCCO
InChIInChI=1S/C20H42O/c1-4-7-10-11-12-13-17-20(15-8-5-2,16-9-6-3)18-14-19-21/h21H,4-19H2,1-3H3
InChIKeyOMIJPVDMPXKEHZ-UHFFFAOYSA-N
MW298.56 g/mol
LogP6.88
Rot. Bonds16

About 4,4-dibutyldodecan-1-ol

4,4-dibutyldodecan-1-ol (PubChem CID 87374441) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 4,4-dibutyldodecan-1-ol.

Molecular Properties

Compound Name4,4-dibutyldodecan-1-ol
PubChem CID87374441
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name4,4-dibutyldodecan-1-ol
SMILESCCCCCCCCC(CCCC)(CCCC)CCCO
InChIInChI=1S/C20H42O/c1-4-7-10-11-12-13-17-20(15-8-5-2,16-9-6-3)18-14-19-21/h21H,4-19H2,1-3H3
InChIKeyOMIJPVDMPXKEHZ-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 56.88
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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10,10-dibutylicosane
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4-decyltetradecane-1,4-diol
CID 170650453
3-butyl-3-ethyloctane-1,8-diol
CID 151923682
2-butyl-2-propylheptane-1,7-diol
CID 151269549
8-hexyl-8-pentylhexadecane
CID 521602
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422

Frequently Asked Questions

What is the IUPAC name of 4,4-dibutyldodecan-1-ol?
The IUPAC name of 4,4-dibutyldodecan-1-ol (CID 87374441) is 4,4-dibutyldodecan-1-ol.
What is the SMILES notation for 4,4-dibutyldodecan-1-ol?
The canonical SMILES for 4,4-dibutyldodecan-1-ol is CCCCCCCCC(CCCC)(CCCC)CCCO.
What is the InChIKey of 4,4-dibutyldodecan-1-ol?
The InChIKey is OMIJPVDMPXKEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-4-7-10-11-12-13-17-20(15-8-5-2,16-9-6-3)18-14-19-21/h21H,4-19H2,1-3H3.
What are the key properties of 4,4-dibutyldodecan-1-ol?
4,4-dibutyldodecan-1-ol has a molecular weight of 298.56 g/mol, XLogP of 6.88, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutyldodecan-1-ol is sourced from PubChem (CID 87374441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).