(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol

C19H36O2 — CID 102400912

IUPAC(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol
SMILESCO[C@H](C1CCCCC1)[C@@H](C)/C=C(\C)[C@H](C)C[C@@H](C)CO
InChIInChI=1S/C19H36O2/c1-14(13-20)11-15(2)16(3)12-17(4)19(21-5)18-9-7-6-8-10-18/h12,14-15,17-20H,6-11,13H2,1-5H3/b16-12+/t14-,15-,17+,19+/m1/s1
InChIKeyUQGSWPIWFCBBCF-IRAMQAIKSA-N
MW296.50 g/mol
LogP4.82
Rot. Bonds8

About (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol

(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol (PubChem CID 102400912) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol.

Molecular Properties

Compound Name(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol
PubChem CID102400912
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol
SMILESCO[C@H](C1CCCCC1)[C@@H](C)/C=C(\C)[C@H](C)C[C@@H](C)CO
InChIInChI=1S/C19H36O2/c1-14(13-20)11-15(2)16(3)12-17(4)19(21-5)18-9-7-6-8-10-18/h12,14-15,17-20H,6-11,13H2,1-5H3/b16-12+/t14-,15-,17+,19+/m1/s1
InChIKeyUQGSWPIWFCBBCF-IRAMQAIKSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
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,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol?
The IUPAC name of (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol (CID 102400912) is (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol.
What is the SMILES notation for (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol?
The canonical SMILES for (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol is CO[C@H](C1CCCCC1)[C@@H](C)/C=C(\C)[C@H](C)C[C@@H](C)CO.
What is the InChIKey of (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol?
The InChIKey is UQGSWPIWFCBBCF-IRAMQAIKSA-N. The full InChI is InChI=1S/C19H36O2/c1-14(13-20)11-15(2)16(3)12-17(4)19(21-5)18-9-7-6-8-10-18/h12,14-15,17-20H,6-11,13H2,1-5H3/b16-12+/t14-,15-,17+,19+/m1/s1.
What are the key properties of (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol?
(E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,4R,7S,8R)-8-cyclohexyl-8-methoxy-2,4,5,7-tetramethyloct-5-en-1-ol is sourced from PubChem (CID 102400912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).