(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol

C15H28O2 — CID 146682850

IUPAC(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol
SMILESCC(C)C(O)CC/C=C/C=C/C(C)(C)[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-14,16-17H,8,10H2,1-5H3/b7-6+,11-9+/t13-,14?/m0/s1
InChIKeyNNWCXCVXEGPTMN-DUOCIRQLSA-N
MW240.39 g/mol
LogP3.30
Rot. Bonds7

About (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol

(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol (PubChem CID 146682850) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol.

Molecular Properties

Compound Name(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol
PubChem CID146682850
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol
SMILESCC(C)C(O)CC/C=C/C=C/C(C)(C)[C@H](C)O
InChIInChI=1S/C15H28O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-14,16-17H,8,10H2,1-5H3/b7-6+,11-9+/t13-,14?/m0/s1
InChIKeyNNWCXCVXEGPTMN-DUOCIRQLSA-N
XLogP3.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol?
The IUPAC name of (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol (CID 146682850) is (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol.
What is the SMILES notation for (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol?
The canonical SMILES for (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol is CC(C)C(O)CC/C=C/C=C/C(C)(C)[C@H](C)O.
What is the InChIKey of (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol?
The InChIKey is NNWCXCVXEGPTMN-DUOCIRQLSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(2)14(17)10-8-6-7-9-11-15(4,5)13(3)16/h6-7,9,11-14,16-17H,8,10H2,1-5H3/b7-6+,11-9+/t13-,14?/m0/s1.
What are the key properties of (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol?
(2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol has a molecular weight of 240.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E,6E)-3,3,11-trimethyldodeca-4,6-diene-2,10-diol is sourced from PubChem (CID 146682850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).