(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol

C18H25NO — CID 6435060

IUPAC(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol
SMILESCC(/C=C/n1ccc2ccccc21)CCCC(C)(C)O
InChIInChI=1S/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3/b13-10+
InChIKeyHAPNXLWNFLTTIE-JLHYYAGUSA-N
MW271.40 g/mol
LogP4.69
Rot. Bonds6

About (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol

(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol (PubChem CID 6435060) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol.

Molecular Properties

Compound Name(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol
PubChem CID6435060
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol
SMILESCC(/C=C/n1ccc2ccccc21)CCCC(C)(C)O
InChIInChI=1S/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3/b13-10+
InChIKeyHAPNXLWNFLTTIE-JLHYYAGUSA-N
XLogP4.69
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol?
The IUPAC name of (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol (CID 6435060) is (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol.
What is the SMILES notation for (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol?
The canonical SMILES for (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol is CC(/C=C/n1ccc2ccccc21)CCCC(C)(C)O.
What is the InChIKey of (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol?
The InChIKey is HAPNXLWNFLTTIE-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H25NO/c1-15(7-6-12-18(2,3)20)10-13-19-14-11-16-8-4-5-9-17(16)19/h4-5,8-11,13-15,20H,6-7,12H2,1-3H3/b13-10+.
What are the key properties of (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol?
(E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol has a molecular weight of 271.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-indol-1-yl-2,6-dimethyloct-7-en-2-ol is sourced from PubChem (CID 6435060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).