(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol

C15H26O3 — CID 162847766

IUPAC(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
SMILESC=C[C@](C)(O)C[C@H](O)/C=C(\C)C/C=C/C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)11-13(16)10-12(2)8-7-9-14(3,4)17/h6-7,9-10,13,16-18H,1,8,11H2,2-5H3/b9-7+,12-10+/t13-,15+/m1/s1
InChIKeyZXFZSYKYILJHBU-HYDLWCNDSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds7

About (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol

(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol (PubChem CID 162847766) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol.

Molecular Properties

Compound Name(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
PubChem CID162847766
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol
SMILESC=C[C@](C)(O)C[C@H](O)/C=C(\C)C/C=C/C(C)(C)O
InChIInChI=1S/C15H26O3/c1-6-15(5,18)11-13(16)10-12(2)8-7-9-14(3,4)17/h6-7,9-10,13,16-18H,1,8,11H2,2-5H3/b9-7+,12-10+/t13-,15+/m1/s1
InChIKeyZXFZSYKYILJHBU-HYDLWCNDSA-N
XLogP2.34
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.34
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 (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol?
The IUPAC name of (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol (CID 162847766) is (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol.
What is the SMILES notation for (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol?
The canonical SMILES for (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol is C=C[C@](C)(O)C[C@H](O)/C=C(\C)C/C=C/C(C)(C)O.
What is the InChIKey of (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol?
The InChIKey is ZXFZSYKYILJHBU-HYDLWCNDSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(5,18)11-13(16)10-12(2)8-7-9-14(3,4)17/h6-7,9-10,13,16-18H,1,8,11H2,2-5H3/b9-7+,12-10+/t13-,15+/m1/s1.
What are the key properties of (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol?
(3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol has a molecular weight of 254.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8S,10R)-2,6,10-trimethyldodeca-3,6,11-triene-2,8,10-triol is sourced from PubChem (CID 162847766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).