(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol

C15H28O4 — CID 139588258

IUPAC(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol
SMILESC/C(=C/CO)CC/C=C(\C)C(O)CC(O)C(C)(C)O
InChIInChI=1S/C15H28O4/c1-11(8-9-16)6-5-7-12(2)13(17)10-14(18)15(3,4)19/h7-8,13-14,16-19H,5-6,9-10H2,1-4H3/b11-8-,12-7+
InChIKeyUIUJAEJVJHPWCR-MVOOLVRYSA-N
MW272.38 g/mol
LogP1.53
Rot. Bonds8

About (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol

(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol (PubChem CID 139588258) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol.

Molecular Properties

Compound Name(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol
PubChem CID139588258
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol
SMILESC/C(=C/CO)CC/C=C(\C)C(O)CC(O)C(C)(C)O
InChIInChI=1S/C15H28O4/c1-11(8-9-16)6-5-7-12(2)13(17)10-14(18)15(3,4)19/h7-8,13-14,16-19H,5-6,9-10H2,1-4H3/b11-8-,12-7+
InChIKeyUIUJAEJVJHPWCR-MVOOLVRYSA-N
XLogP1.53
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol?
The IUPAC name of (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol (CID 139588258) is (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol.
What is the SMILES notation for (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol?
The canonical SMILES for (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol is C/C(=C/CO)CC/C=C(\C)C(O)CC(O)C(C)(C)O.
What is the InChIKey of (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol?
The InChIKey is UIUJAEJVJHPWCR-MVOOLVRYSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(8-9-16)6-5-7-12(2)13(17)10-14(18)15(3,4)19/h7-8,13-14,16-19H,5-6,9-10H2,1-4H3/b11-8-,12-7+.
What are the key properties of (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol?
(2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol has a molecular weight of 272.38 g/mol, XLogP of 1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3,7,11-trimethyldodeca-2,6-diene-1,8,10,11-tetrol is sourced from PubChem (CID 139588258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).