(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol

C17H26O6 — CID 130234248

IUPAC(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
SMILESCCc1ccc(C=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(CC)c1
InChIInChI=1S/C17H26O6/c1-3-10-5-6-12(11(4-2)7-10)8-13(19)15(21)17(23)16(22)14(20)9-18/h5-8,14-23H,3-4,9H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyFYZHFOIRNXQALY-YYIAUSFCSA-N
MW326.39 g/mol
LogP0.15
Rot. Bonds8

About (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol

(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol (PubChem CID 130234248) has the molecular formula C17H26O6 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
PubChem CID130234248
Molecular FormulaC17H26O6
Molecular Weight326.39 g/mol
Exact Mass326.17
IUPAC Name(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
SMILESCCc1ccc(C=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(CC)c1
InChIInChI=1S/C17H26O6/c1-3-10-5-6-12(11(4-2)7-10)8-13(19)15(21)17(23)16(22)14(20)9-18/h5-8,14-23H,3-4,9H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyFYZHFOIRNXQALY-YYIAUSFCSA-N
XLogP0.15
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.39
LogP ≤ 50.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z,2S,3R,4R,5R)-7-(2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141130875
7-(4-ethyl-3-methylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 77160649
(2R,3R,4S,5R)-7-(2-butylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141330903
7-(3-fluoro-2,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 174465317
(Z,2S,3R,4R,5R)-7-(3,4-dimethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 140610438
(3R,4S,5R,6R)-1-(4-ethyl-3-methylphenyl)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 54188354
7-(3-chloro-4-methylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 77160660
(2R,3S,4R,5R)-1-[3-ethyl-8-(2-ethylphenyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]hexane-1,2,3,4,5,6-hexol
CID 70446664
7-(3-bromophenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 175044347
2-(4-ethenyl-3-ethylphenyl)acetic acid
CID 143512870
(2R,3S,4R,5R)-1-[3-ethyl-8-(4-methylphenyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene]hexane-1,2,3,4,5,6-hexol
CID 67803695
(2,4-diethylphenyl)methanol
CID 21414896

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol (CID 130234248) is (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol is CCc1ccc(C=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(CC)c1.
What is the InChIKey of (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
The InChIKey is FYZHFOIRNXQALY-YYIAUSFCSA-N. The full InChI is InChI=1S/C17H26O6/c1-3-10-5-6-12(11(4-2)7-10)8-13(19)15(21)17(23)16(22)14(20)9-18/h5-8,14-23H,3-4,9H2,1-2H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol?
(2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol has a molecular weight of 326.39 g/mol, XLogP of 0.15, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-7-(2,4-diethylphenyl)hept-6-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 130234248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).