(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione

C20H30O3 — CID 101006065

IUPAC(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione
SMILESC=C(CC(=O)C=C(C)C)C(=O)CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H30O3/c1-15(2)13-19(22)14-18(5)20(23)10-9-16(3)7-6-8-17(4)11-12-21/h7,11,13,21H,5-6,8-10,12,14H2,1-4H3/b16-7+,17-11+
InChIKeyKCBUEVHZHDNVJS-WPNGSOMFSA-N
MW318.46 g/mol
LogP4.48
Rot. Bonds11

About (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione

(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione (PubChem CID 101006065) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione.

Molecular Properties

Compound Name(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione
PubChem CID101006065
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione
SMILESC=C(CC(=O)C=C(C)C)C(=O)CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H30O3/c1-15(2)13-19(22)14-18(5)20(23)10-9-16(3)7-6-8-17(4)11-12-21/h7,11,13,21H,5-6,8-10,12,14H2,1-4H3/b16-7+,17-11+
InChIKeyKCBUEVHZHDNVJS-WPNGSOMFSA-N
XLogP4.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione?
The IUPAC name of (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione (CID 101006065) is (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione.
What is the SMILES notation for (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione?
The canonical SMILES for (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione is C=C(CC(=O)C=C(C)C)C(=O)CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione?
The InChIKey is KCBUEVHZHDNVJS-WPNGSOMFSA-N. The full InChI is InChI=1S/C20H30O3/c1-15(2)13-19(22)14-18(5)20(23)10-9-16(3)7-6-8-17(4)11-12-21/h7,11,13,21H,5-6,8-10,12,14H2,1-4H3/b16-7+,17-11+.
What are the key properties of (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione?
(10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione has a molecular weight of 318.46 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,14E)-16-hydroxy-2,10,14-trimethyl-6-methylidenehexadeca-2,10,14-triene-4,7-dione is sourced from PubChem (CID 101006065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).