(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol

C20H34O2 — CID 10018055

IUPAC(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol
SMILESCC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-16(2)12-13-20(22)19(5)11-7-10-17(3)8-6-9-18(4)14-15-21/h8,11-12,14,20-22H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-14+,19-11+/t20-/m0/s1
InChIKeyCHBFGYKXOFQFQP-UGGRNDNRSA-N
MW306.49 g/mol
LogP5.10
Rot. Bonds10

About (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol

(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol (PubChem CID 10018055) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol.

Molecular Properties

Compound Name(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol
PubChem CID10018055
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol
SMILESCC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO
InChIInChI=1S/C20H34O2/c1-16(2)12-13-20(22)19(5)11-7-10-17(3)8-6-9-18(4)14-15-21/h8,11-12,14,20-22H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-14+,19-11+/t20-/m0/s1
InChIKeyCHBFGYKXOFQFQP-UGGRNDNRSA-N
XLogP5.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol?
The IUPAC name of (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol (CID 10018055) is (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol.
What is the SMILES notation for (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol?
The canonical SMILES for (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol is CC(C)=CC[C@H](O)/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO.
What is the InChIKey of (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol?
The InChIKey is CHBFGYKXOFQFQP-UGGRNDNRSA-N. The full InChI is InChI=1S/C20H34O2/c1-16(2)12-13-20(22)19(5)11-7-10-17(3)8-6-9-18(4)14-15-21/h8,11-12,14,20-22H,6-7,9-10,13,15H2,1-5H3/b17-8+,18-14+,19-11+/t20-/m0/s1.
What are the key properties of (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol?
(2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol has a molecular weight of 306.49 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,12S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,12-diol is sourced from PubChem (CID 10018055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).