(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol

C15H26O3 — CID 127036756

IUPAC(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol
SMILESC=C[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)CC=C(C)C
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)14(17)8-7-11(2)3/h6-7,9,13-14,16-18H,1,8,10H2,2-5H3/b12-9+/t13-,14-,15-/m0/s1
InChIKeyGAEVBMMHPZIJOS-AHTQYRACSA-N
MW254.37 g/mol
LogP2.34
Rot. Bonds7

About (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol

(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol (PubChem CID 127036756) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol.

Molecular Properties

Compound Name(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol
PubChem CID127036756
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol
SMILESC=C[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)CC=C(C)C
InChIInChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)14(17)8-7-11(2)3/h6-7,9,13-14,16-18H,1,8,10H2,2-5H3/b12-9+/t13-,14-,15-/m0/s1
InChIKeyGAEVBMMHPZIJOS-AHTQYRACSA-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 (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol?
The IUPAC name of (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol (CID 127036756) is (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol.
What is the SMILES notation for (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol?
The canonical SMILES for (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol is C=C[C@](C)(O)C[C@@H](O)/C=C(\C)[C@@H](O)CC=C(C)C.
What is the InChIKey of (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol?
The InChIKey is GAEVBMMHPZIJOS-AHTQYRACSA-N. The full InChI is InChI=1S/C15H26O3/c1-6-15(5,18)10-13(16)9-12(4)14(17)8-7-11(2)3/h6-7,9,13-14,16-18H,1,8,10H2,2-5H3/b12-9+/t13-,14-,15-/m0/s1.
What are the key properties of (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol?
(3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-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 (3R,5R,6E,8S)-3,7,11-trimethyldodeca-1,6,10-triene-3,5,8-triol is sourced from PubChem (CID 127036756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).