2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol

C23H40O3 — CID 70162877

IUPAC2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
SMILESCC(C)=CCCC(O)CCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C23H40O3/c1-19(2)9-7-12-22(24)15-14-20(3)10-8-11-21(4)16-18-26-23-13-5-6-17-25-23/h9-10,16,22-24H,5-8,11-15,17-18H2,1-4H3
InChIKeySKQRSZVGRAJMLJ-UHFFFAOYSA-N
MW364.57 g/mol
LogP6.09
Rot. Bonds12

About 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol

2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol (PubChem CID 70162877) has the molecular formula C23H40O3 and a molecular weight of 364.57 g/mol. Its IUPAC name is 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol.

Molecular Properties

Compound Name2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
PubChem CID70162877
Molecular FormulaC23H40O3
Molecular Weight364.57 g/mol
Exact Mass364.30
IUPAC Name2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
SMILESCC(C)=CCCC(O)CCC(C)=CCCC(C)=CCOC1CCCCO1
InChIInChI=1S/C23H40O3/c1-19(2)9-7-12-22(24)15-14-20(3)10-8-11-21(4)16-18-26-23-13-5-6-17-25-23/h9-10,16,22-24H,5-8,11-15,17-18H2,1-4H3
InChIKeySKQRSZVGRAJMLJ-UHFFFAOYSA-N
XLogP6.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
2-[(2E,6E)-3,7-dimethyl-8-[2-(2-methylprop-1-enyl)-1,3-dithian-2-yl]octa-2,6-dienoxy]oxane
CID 23726956
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
(2S)-2-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]oxane
CID 93475878
2-[(2E)-6-azido-3,7-dimethylocta-2,7-dienoxy]oxane
CID 134984060

Frequently Asked Questions

What is the IUPAC name of 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol?
The IUPAC name of 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol (CID 70162877) is 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol.
What is the SMILES notation for 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol?
The canonical SMILES for 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol is CC(C)=CCCC(O)CCC(C)=CCCC(C)=CCOC1CCCCO1.
What is the InChIKey of 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol?
The InChIKey is SKQRSZVGRAJMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O3/c1-19(2)9-7-12-22(24)15-14-20(3)10-8-11-21(4)16-18-26-23-13-5-6-17-25-23/h9-10,16,22-24H,5-8,11-15,17-18H2,1-4H3.
What are the key properties of 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol?
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol has a molecular weight of 364.57 g/mol, XLogP of 6.09, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol is sourced from PubChem (CID 70162877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).