(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol

C20H34O3 — CID 11198071

IUPAC(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol
SMILESC/C(=C\CCC(C)(O)/C=C/C/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O3/c1-17(8-5-9-18(2)12-15-21)10-6-13-20(4,23)14-7-11-19(3)16-22/h6,8,11-13,21-23H,5,7,9-10,14-16H2,1-4H3/b13-6+,17-8+,18-12+,19-11+
InChIKeyQVPAFHFVRMUTMO-AOMRLLSLSA-N
MW322.49 g/mol
LogP4.07
Rot. Bonds11

About (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol

(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol (PubChem CID 11198071) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol.

Molecular Properties

Compound Name(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol
PubChem CID11198071
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol
SMILESC/C(=C\CCC(C)(O)/C=C/C/C(C)=C/CC/C(C)=C/CO)CO
InChIInChI=1S/C20H34O3/c1-17(8-5-9-18(2)12-15-21)10-6-13-20(4,23)14-7-11-19(3)16-22/h6,8,11-13,21-23H,5,7,9-10,14-16H2,1-4H3/b13-6+,17-8+,18-12+,19-11+
InChIKeyQVPAFHFVRMUTMO-AOMRLLSLSA-N
XLogP4.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol?
The IUPAC name of (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol (CID 11198071) is (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol.
What is the SMILES notation for (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol?
The canonical SMILES for (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol is C/C(=C\CCC(C)(O)/C=C/C/C(C)=C/CC/C(C)=C/CO)CO.
What is the InChIKey of (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol?
The InChIKey is QVPAFHFVRMUTMO-AOMRLLSLSA-N. The full InChI is InChI=1S/C20H34O3/c1-17(8-5-9-18(2)12-15-21)10-6-13-20(4,23)14-7-11-19(3)16-22/h6,8,11-13,21-23H,5,7,9-10,14-16H2,1-4H3/b13-6+,17-8+,18-12+,19-11+.
What are the key properties of (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol?
(2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol has a molecular weight of 322.49 g/mol, XLogP of 4.07, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,7,10,14-tetraene-1,6,16-triol is sourced from PubChem (CID 11198071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).