(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one

C20H32O3 — CID 14681720

IUPAC(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one
SMILESC=C(CC/C=C(\C)CC(=O)C=C(C)C)[C@@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H32O3/c1-15(2)13-19(22)14-17(4)7-6-8-18(5)20(23)10-9-16(3)11-12-21/h7,11,13,20-21,23H,5-6,8-10,12,14H2,1-4H3/b16-11+,17-7+/t20-/m0/s1
InChIKeyUAAZTLQDFUORHE-BRMFGTPPSA-N
MW320.47 g/mol
LogP4.27
Rot. Bonds11

About (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one

(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one (PubChem CID 14681720) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one.

Molecular Properties

Compound Name(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one
PubChem CID14681720
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one
SMILESC=C(CC/C=C(\C)CC(=O)C=C(C)C)[C@@H](O)CC/C(C)=C/CO
InChIInChI=1S/C20H32O3/c1-15(2)13-19(22)14-17(4)7-6-8-18(5)20(23)10-9-16(3)11-12-21/h7,11,13,20-21,23H,5-6,8-10,12,14H2,1-4H3/b16-11+,17-7+/t20-/m0/s1
InChIKeyUAAZTLQDFUORHE-BRMFGTPPSA-N
XLogP4.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one with MolForge

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Related Compounds

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Cinerolon
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Boletinin C
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(Z,S)-jasmololone
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(Z,S)-cinerolone
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(5E,10E)-14-hydroxy-2,6,10-trimethylpentadeca-5,10-dien-4-one
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Frequently Asked Questions

What is the IUPAC name of (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one?
The IUPAC name of (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one (CID 14681720) is (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one.
What is the SMILES notation for (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one?
The canonical SMILES for (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one is C=C(CC/C=C(\C)CC(=O)C=C(C)C)[C@@H](O)CC/C(C)=C/CO.
What is the InChIKey of (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one?
The InChIKey is UAAZTLQDFUORHE-BRMFGTPPSA-N. The full InChI is InChI=1S/C20H32O3/c1-15(2)13-19(22)14-17(4)7-6-8-18(5)20(23)10-9-16(3)11-12-21/h7,11,13,20-21,23H,5-6,8-10,12,14H2,1-4H3/b16-11+,17-7+/t20-/m0/s1.
What are the key properties of (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one?
(6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one has a molecular weight of 320.47 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,11S,14E)-11,16-dihydroxy-2,6,14-trimethyl-10-methylidenehexadeca-2,6,14-trien-4-one is sourced from PubChem (CID 14681720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).