(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol

C17H24O — CID 102254103

IUPAC(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol
SMILESC=CC(CCC=C(C)C)C[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O/c1-4-15(10-8-9-14(2)3)13-17(18)16-11-6-5-7-12-16/h4-7,9,11-12,15,17-18H,1,8,10,13H2,2-3H3/t15?,17-/m1/s1
InChIKeyXBRIQJIBOMZAFP-OMOCHNIRSA-N
MW244.38 g/mol
LogP4.66
Rot. Bonds7

About (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol

(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol (PubChem CID 102254103) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol
PubChem CID102254103
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol
SMILESC=CC(CCC=C(C)C)C[C@@H](O)c1ccccc1
InChIInChI=1S/C17H24O/c1-4-15(10-8-9-14(2)3)13-17(18)16-11-6-5-7-12-16/h4-7,9,11-12,15,17-18H,1,8,10,13H2,2-3H3/t15?,17-/m1/s1
InChIKeyXBRIQJIBOMZAFP-OMOCHNIRSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
4-methyl-1-phenylpent-4-ene-1,3-diol
CID 13461017
(1R,2S)-2-ethenyl-2,6-dimethyl-1-phenylhept-5-en-1-ol
CID 12809100
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol
CID 14977112
tetrakis(1,3-diphenylpropane-1,3-diol);titanium;dihydrate
CID 168793676
(3E)-4-(2-hydroxy-2-phenylethyl)-8-methylnona-3,7-dien-2-one
CID 101247587
(1S,3R)-3-[tert-butyl(diphenyl)silyl]-1-phenylpent-4-en-1-ol
CID 135746136
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
(1R)-3,3-dimethoxy-1-phenylpropan-1-ol
CID 11687059

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol?
The IUPAC name of (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol (CID 102254103) is (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol.
What is the SMILES notation for (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol?
The canonical SMILES for (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol is C=CC(CCC=C(C)C)C[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol?
The InChIKey is XBRIQJIBOMZAFP-OMOCHNIRSA-N. The full InChI is InChI=1S/C17H24O/c1-4-15(10-8-9-14(2)3)13-17(18)16-11-6-5-7-12-16/h4-7,9,11-12,15,17-18H,1,8,10,13H2,2-3H3/t15?,17-/m1/s1.
What are the key properties of (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol?
(1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethenyl-7-methyl-1-phenyloct-6-en-1-ol is sourced from PubChem (CID 102254103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).