12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol

C18H34O3 — CID 57074690

IUPAC12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol
SMILESCC(O)CCCC=CCC=CCC(OC(C)C)OC(C)C
InChIInChI=1S/C18H34O3/c1-15(2)20-18(21-16(3)4)14-12-10-8-6-7-9-11-13-17(5)19/h6-7,10,12,15-19H,8-9,11,13-14H2,1-5H3
InChIKeyFFWWMKKHLYWINF-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.61
Rot. Bonds12

About 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol

12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol (PubChem CID 57074690) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol.

Molecular Properties

Compound Name12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol
PubChem CID57074690
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol
SMILESCC(O)CCCC=CCC=CCC(OC(C)C)OC(C)C
InChIInChI=1S/C18H34O3/c1-15(2)20-18(21-16(3)4)14-12-10-8-6-7-9-11-13-17(5)19/h6-7,10,12,15-19H,8-9,11,13-14H2,1-5H3
InChIKeyFFWWMKKHLYWINF-UHFFFAOYSA-N
XLogP4.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.61
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

(Z)-6,6-di(propan-2-yloxy)hex-3-en-1-ol
CID 10889316
(Z)-9,9-dimethoxynon-3-en-1-ol
CID 163205835
(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol
CID 11221105
(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol
CID 11243894
(3Z,6Z)-1,1-di(propan-2-yloxy)dodeca-3,6-diene
CID 14236953
(3Z,6Z,9Z)-1,1-di(propan-2-yloxy)pentadeca-3,6,9-triene
CID 14236955
(Z)-1,1-diethoxydec-7-en-4-ol
CID 14078616
(E)-5-(1-ethoxyethoxy)non-2-ene
CID 20266220
1-[(E)-oct-5-en-3-yl]oxyethanol
CID 22035497
(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol
CID 23352208
1,1-Diethoxydec-7-en-4-ol
CID 53719370
1-Hept-4-en-2-yloxyhex-3-en-1-ol
CID 57122085

Frequently Asked Questions

What is the IUPAC name of 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol?
The IUPAC name of 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol (CID 57074690) is 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol.
What is the SMILES notation for 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol?
The canonical SMILES for 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol is CC(O)CCCC=CCC=CCC(OC(C)C)OC(C)C.
What is the InChIKey of 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol?
The InChIKey is FFWWMKKHLYWINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-15(2)20-18(21-16(3)4)14-12-10-8-6-7-9-11-13-17(5)19/h6-7,10,12,15-19H,8-9,11,13-14H2,1-5H3.
What are the key properties of 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol?
12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol has a molecular weight of 298.47 g/mol, XLogP of 4.61, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-di(propan-2-yloxy)dodeca-6,9-dien-2-ol is sourced from PubChem (CID 57074690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).