12-(7-hydroxydodecoxy)dodecan-6-ol

C24H50O3 — CID 90689628

IUPAC12-(7-hydroxydodecoxy)dodecan-6-ol
SMILESCCCCCC(O)CCCCCCOCCCCCCC(O)CCCCC
InChIInChI=1S/C24H50O3/c1-3-5-11-17-23(25)19-13-7-9-15-21-27-22-16-10-8-14-20-24(26)18-12-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeySNKMURWCHGLINJ-UHFFFAOYSA-N
MW386.66 g/mol
LogP6.79
Rot. Bonds22

About 12-(7-hydroxydodecoxy)dodecan-6-ol

12-(7-hydroxydodecoxy)dodecan-6-ol (PubChem CID 90689628) has the molecular formula C24H50O3 and a molecular weight of 386.66 g/mol. Its IUPAC name is 12-(7-hydroxydodecoxy)dodecan-6-ol.

Molecular Properties

Compound Name12-(7-hydroxydodecoxy)dodecan-6-ol
PubChem CID90689628
Molecular FormulaC24H50O3
Molecular Weight386.66 g/mol
Exact Mass386.38
IUPAC Name12-(7-hydroxydodecoxy)dodecan-6-ol
SMILESCCCCCC(O)CCCCCCOCCCCCCC(O)CCCCC
InChIInChI=1S/C24H50O3/c1-3-5-11-17-23(25)19-13-7-9-15-21-27-22-16-10-8-14-20-24(26)18-12-6-4-2/h23-26H,3-22H2,1-2H3
InChIKeySNKMURWCHGLINJ-UHFFFAOYSA-N
XLogP6.79
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.66
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,19-dibutoxynonadecan-10-ol
CID 129293593
17-(hydroxymethoxy)heptadecan-7-ol
CID 122659082
1-octoxydecan-2-ol
CID 57119039
1-octadecoxyicosan-2-ol
CID 88758338
18-(12-hydroxyoctadecoxy)octadecanoic acid
CID 121473917
icosan-9-ol
CID 11983377
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of 12-(7-hydroxydodecoxy)dodecan-6-ol?
The IUPAC name of 12-(7-hydroxydodecoxy)dodecan-6-ol (CID 90689628) is 12-(7-hydroxydodecoxy)dodecan-6-ol.
What is the SMILES notation for 12-(7-hydroxydodecoxy)dodecan-6-ol?
The canonical SMILES for 12-(7-hydroxydodecoxy)dodecan-6-ol is CCCCCC(O)CCCCCCOCCCCCCC(O)CCCCC.
What is the InChIKey of 12-(7-hydroxydodecoxy)dodecan-6-ol?
The InChIKey is SNKMURWCHGLINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O3/c1-3-5-11-17-23(25)19-13-7-9-15-21-27-22-16-10-8-14-20-24(26)18-12-6-4-2/h23-26H,3-22H2,1-2H3.
What are the key properties of 12-(7-hydroxydodecoxy)dodecan-6-ol?
12-(7-hydroxydodecoxy)dodecan-6-ol has a molecular weight of 386.66 g/mol, XLogP of 6.79, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(7-hydroxydodecoxy)dodecan-6-ol is sourced from PubChem (CID 90689628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).