11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol

C24H46O3 — CID 141464305

IUPAC11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol
SMILESCC(=CCOCC=C(C)CCCCCCCCO)CCCCCCCCO
InChIInChI=1S/C24H46O3/c1-23(15-11-7-3-5-9-13-19-25)17-21-27-22-18-24(2)16-12-8-4-6-10-14-20-26/h17-18,25-26H,3-16,19-22H2,1-2H3
InChIKeyHYXTVLNBPDUPQF-UHFFFAOYSA-N
MW382.63 g/mol
LogP6.34
Rot. Bonds20

About 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol

11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol (PubChem CID 141464305) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol.

Molecular Properties

Compound Name11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol
PubChem CID141464305
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol
SMILESCC(=CCOCC=C(C)CCCCCCCCO)CCCCCCCCO
InChIInChI=1S/C24H46O3/c1-23(15-11-7-3-5-9-13-19-25)17-21-27-22-18-24(2)16-12-8-4-6-10-14-20-26/h17-18,25-26H,3-16,19-22H2,1-2H3
InChIKeyHYXTVLNBPDUPQF-UHFFFAOYSA-N
XLogP6.34
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
CID 11822357
[(E)-3-methylundec-2-enyl] acetate
CID 161431126
(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol
CID 134895349
2,6-dimethyl-8-propoxyocta-1,6-diene
CID 91499323
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
(2R,3S)-4-(3,7,11,15-tetramethylhexadec-2-enoxy)butane-1,2,3-triol
CID 123911046
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
4-methylheptadec-3-ene
CID 59169426
1-ethoxy-4-methylundec-3-ene
CID 72800816
methoxymethane;octane-1,8-diol
CID 175193596

Frequently Asked Questions

What is the IUPAC name of 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol?
The IUPAC name of 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol (CID 141464305) is 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol.
What is the SMILES notation for 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol?
The canonical SMILES for 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol is CC(=CCOCC=C(C)CCCCCCCCO)CCCCCCCCO.
What is the InChIKey of 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol?
The InChIKey is HYXTVLNBPDUPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c1-23(15-11-7-3-5-9-13-19-25)17-21-27-22-18-24(2)16-12-8-4-6-10-14-20-26/h17-18,25-26H,3-16,19-22H2,1-2H3.
What are the key properties of 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol?
11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol has a molecular weight of 382.63 g/mol, XLogP of 6.34, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol is sourced from PubChem (CID 141464305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).