(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol

C17H30O2 — CID 6366429

IUPAC(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
SMILESCCC(O)(/C=C/CO)CCC1C(C)=CCCC1(C)C
InChIInChI=1S/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3/b11-7+
InChIKeyVGKUDTFPDSFCFQ-YRNVUSSQSA-N
MW266.43 g/mol
LogP3.84
Rot. Bonds6

About (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol

(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol (PubChem CID 6366429) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
PubChem CID6366429
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
SMILESCCC(O)(/C=C/CO)CCC1C(C)=CCCC1(C)C
InChIInChI=1S/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3/b11-7+
InChIKeyVGKUDTFPDSFCFQ-YRNVUSSQSA-N
XLogP3.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol?
The IUPAC name of (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol (CID 6366429) is (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol.
What is the SMILES notation for (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol?
The canonical SMILES for (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol is CCC(O)(/C=C/CO)CCC1C(C)=CCCC1(C)C.
What is the InChIKey of (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol?
The InChIKey is VGKUDTFPDSFCFQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H30O2/c1-5-17(19,11-7-13-18)12-9-15-14(2)8-6-10-16(15,3)4/h7-8,11,15,18-19H,5-6,9-10,12-13H2,1-4H3/b11-7+.
What are the key properties of (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol?
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol has a molecular weight of 266.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol is sourced from PubChem (CID 6366429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).