10-butyl-9-octyloctadecan-9-ol

C30H62O — CID 91405283

IUPAC10-butyl-9-octyloctadecan-9-ol
SMILESCCCCCCCCC(CCCC)C(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H62O/c1-5-9-13-16-19-22-26-29(25-12-8-4)30(31,27-23-20-17-14-10-6-2)28-24-21-18-15-11-7-3/h29,31H,5-28H2,1-4H3
InChIKeyWZXKUAUNVOIOGL-UHFFFAOYSA-N
MW438.83 g/mol
LogP10.78
Rot. Bonds25

About 10-butyl-9-octyloctadecan-9-ol

10-butyl-9-octyloctadecan-9-ol (PubChem CID 91405283) has the molecular formula C30H62O and a molecular weight of 438.83 g/mol. Its IUPAC name is 10-butyl-9-octyloctadecan-9-ol.

Molecular Properties

Compound Name10-butyl-9-octyloctadecan-9-ol
PubChem CID91405283
Molecular FormulaC30H62O
Molecular Weight438.83 g/mol
Exact Mass438.48
IUPAC Name10-butyl-9-octyloctadecan-9-ol
SMILESCCCCCCCCC(CCCC)C(O)(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C30H62O/c1-5-9-13-16-19-22-26-29(25-12-8-4)30(31,27-23-20-17-14-10-6-2)28-24-21-18-15-11-7-3/h29,31H,5-28H2,1-4H3
InChIKeyWZXKUAUNVOIOGL-UHFFFAOYSA-N
XLogP10.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 510.78
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

16-butyl-15-tetradecylhentriacontan-15-ol
CID 175499953
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
5,6-dibutyldodecan-5-ol
CID 91807952
3-ethyl-4-pentyldodecan-3-ol
CID 91804160
8-pentylhexadecane-8,9-diol
CID 141007443
9-butyl-10-methyloctadecan-9-ol
CID 173066845
20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
2-octadecylhenicosane-1,2,3-triol
CID 19002635
11-(2-methylheptan-2-yl)docosane
CID 57252514
3-decyltridecane-2,3-diol
CID 175905550
azane;9-butyl-8-chloro-8-heptylhexadecane
CID 88840241
4-hexyl-2-methyl-3-propan-2-yldodecan-3-ol
CID 170161295

Frequently Asked Questions

What is the IUPAC name of 10-butyl-9-octyloctadecan-9-ol?
The IUPAC name of 10-butyl-9-octyloctadecan-9-ol (CID 91405283) is 10-butyl-9-octyloctadecan-9-ol.
What is the SMILES notation for 10-butyl-9-octyloctadecan-9-ol?
The canonical SMILES for 10-butyl-9-octyloctadecan-9-ol is CCCCCCCCC(CCCC)C(O)(CCCCCCCC)CCCCCCCC.
What is the InChIKey of 10-butyl-9-octyloctadecan-9-ol?
The InChIKey is WZXKUAUNVOIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O/c1-5-9-13-16-19-22-26-29(25-12-8-4)30(31,27-23-20-17-14-10-6-2)28-24-21-18-15-11-7-3/h29,31H,5-28H2,1-4H3.
What are the key properties of 10-butyl-9-octyloctadecan-9-ol?
10-butyl-9-octyloctadecan-9-ol has a molecular weight of 438.83 g/mol, XLogP of 10.78, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-9-octyloctadecan-9-ol is sourced from PubChem (CID 91405283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).