(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol

C18H36O3 — CID 10891946

IUPAC(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
SMILESCC(C)OC(C/C=C\CCCCCCCCO)OC(C)C
InChIInChI=1S/C18H36O3/c1-16(2)20-18(21-17(3)4)14-12-10-8-6-5-7-9-11-13-15-19/h10,12,16-19H,5-9,11,13-15H2,1-4H3/b12-10-
InChIKeyMCFQYROJDODUTN-BENRWUELSA-N
MW300.48 g/mol
LogP4.83
Rot. Bonds14

About (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol

(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol (PubChem CID 10891946) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol.

Molecular Properties

Compound Name(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
PubChem CID10891946
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol
SMILESCC(C)OC(C/C=C\CCCCCCCCO)OC(C)C
InChIInChI=1S/C18H36O3/c1-16(2)20-18(21-17(3)4)14-12-10-8-6-5-7-9-11-13-15-19/h10,12,16-19H,5-9,11,13-15H2,1-4H3/b12-10-
InChIKeyMCFQYROJDODUTN-BENRWUELSA-N
XLogP4.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(E)-heptadec-12-en-1-ol
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(Z)-undec-7-en-1-ol
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(E)-heptadec-5-en-1-ol
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tridec-10-en-1-ol
CID 53427401
(E)-heptadec-7-en-1-ol
CID 19790013
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Frequently Asked Questions

What is the IUPAC name of (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol?
The IUPAC name of (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol (CID 10891946) is (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol.
What is the SMILES notation for (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol?
The canonical SMILES for (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol is CC(C)OC(C/C=C\CCCCCCCCO)OC(C)C.
What is the InChIKey of (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol?
The InChIKey is MCFQYROJDODUTN-BENRWUELSA-N. The full InChI is InChI=1S/C18H36O3/c1-16(2)20-18(21-17(3)4)14-12-10-8-6-5-7-9-11-13-15-19/h10,12,16-19H,5-9,11,13-15H2,1-4H3/b12-10-.
What are the key properties of (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol?
(Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol has a molecular weight of 300.48 g/mol, XLogP of 4.83, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-12,12-di(propan-2-yloxy)dodec-9-en-1-ol is sourced from PubChem (CID 10891946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).