(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate

C17H30O4 — CID 538078

IUPAC(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate
SMILESCC(=O)OCC=C(C)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C17H30O4/c1-13(9-10-16(19)17(4,5)20)7-6-8-14(2)11-12-21-15(3)18/h7,11,16,19-20H,6,8-10,12H2,1-5H3
InChIKeyULROVNMFUUTDMH-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.13
Rot. Bonds9

About (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate

(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate (PubChem CID 538078) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate.

Molecular Properties

Compound Name(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate
PubChem CID538078
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate
SMILESCC(=O)OCC=C(C)CCC=C(C)CCC(O)C(C)(C)O
InChIInChI=1S/C17H30O4/c1-13(9-10-16(19)17(4,5)20)7-6-8-14(2)11-12-21-15(3)18/h7,11,16,19-20H,6,8-10,12H2,1-5H3
InChIKeyULROVNMFUUTDMH-UHFFFAOYSA-N
XLogP3.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7alpha,8beta-Dihydroxydeepoxysarcophine
CID 10806655
[(1R,2E,6E,8R,10S,11E,13S)-8,13-dihydroxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-yl] acetate
CID 15674659
[(1Z,6R,7R,8S)-6,7-dihydroxy-5-methylidene-8-propan-2-ylcyclodecen-1-yl]methyl acetate
CID 10685375
methyl (2E,6E)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate
CID 5469452
[(2Z,6S,7R)-7-hydroxy-2-[(E)-6-hydroxy-4-methylhex-4-enylidene]-6,10-dimethylundec-9-enyl] acetate
CID 16681370
[(2E,6Z,11S,12R)-7-(acetyloxymethyl)-12-hydroxy-3,11,15-trimethylhexadeca-2,6,14-trienyl] acetate
CID 16681371
[(7E)-6,10-dihydroxy-2,6,10-trimethyldodeca-1,7,11-trien-3-yl] acetate
CID 25180127
(6E,10S,11S,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 15275935
(6E,10S,11S,14E,15aS)-10-hydroxy-3,6,10,14-tetramethyl-11-propoxy-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 56662800
Ekeberin D5
CID 44448098
Gibberosene F
CID 44448180
Gibberosene E
CID 44448195

Frequently Asked Questions

What is the IUPAC name of (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate?
The IUPAC name of (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate (CID 538078) is (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate.
What is the SMILES notation for (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate?
The canonical SMILES for (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate is CC(=O)OCC=C(C)CCC=C(C)CCC(O)C(C)(C)O.
What is the InChIKey of (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate?
The InChIKey is ULROVNMFUUTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-13(9-10-16(19)17(4,5)20)7-6-8-14(2)11-12-21-15(3)18/h7,11,16,19-20H,6,8-10,12H2,1-5H3.
What are the key properties of (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate?
(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate has a molecular weight of 298.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl) acetate is sourced from PubChem (CID 538078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).