(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol

C20H36O3 — CID 163195364

IUPAC(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C20H36O3/c1-7-20(6,23)15-9-12-16(2)10-8-11-17(3)13-14-18(21)19(4,5)22/h7,11-12,18,21-23H,1,8-10,13-15H2,2-6H3/b16-12+,17-11+/t18-,20+/m0/s1
InChIKeyPKUIPULYNWMNLR-GREXEMICSA-N
MW324.51 g/mol
LogP4.29
Rot. Bonds11

About (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol

(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol (PubChem CID 163195364) has the molecular formula C20H36O3 and a molecular weight of 324.51 g/mol. Its IUPAC name is (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol.

Molecular Properties

Compound Name(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
PubChem CID163195364
Molecular FormulaC20H36O3
Molecular Weight324.51 g/mol
Exact Mass324.27
IUPAC Name(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
SMILESC=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O
InChIInChI=1S/C20H36O3/c1-7-20(6,23)15-9-12-16(2)10-8-11-17(3)13-14-18(21)19(4,5)22/h7,11-12,18,21-23H,1,8-10,13-15H2,2-6H3/b16-12+,17-11+/t18-,20+/m0/s1
InChIKeyPKUIPULYNWMNLR-GREXEMICSA-N
XLogP4.29
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.29
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 (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol?
The IUPAC name of (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol (CID 163195364) is (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol.
What is the SMILES notation for (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol?
The canonical SMILES for (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol is C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O.
What is the InChIKey of (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol?
The InChIKey is PKUIPULYNWMNLR-GREXEMICSA-N. The full InChI is InChI=1S/C20H36O3/c1-7-20(6,23)15-9-12-16(2)10-8-11-17(3)13-14-18(21)19(4,5)22/h7,11-12,18,21-23H,1,8-10,13-15H2,2-6H3/b16-12+,17-11+/t18-,20+/m0/s1.
What are the key properties of (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol?
(3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol has a molecular weight of 324.51 g/mol, XLogP of 4.29, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E,10E,14S)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol is sourced from PubChem (CID 163195364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).