[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene

C17H26 — CID 15652057

IUPAC[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene
SMILESC=C[C@@](CC)(CCCC)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H26/c1-5-8-14-17(6-2,7-3)15(4)16-12-10-9-11-13-16/h6,9-13,15H,2,5,7-8,14H2,1,3-4H3/t15-,17+/m0/s1
InChIKeyRCPKOQRXUFBUSV-DOTOQJQBSA-N
MW230.39 g/mol
LogP5.56
Rot. Bonds7

About [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene

[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene (PubChem CID 15652057) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene.

Molecular Properties

Compound Name[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene
PubChem CID15652057
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene
SMILESC=C[C@@](CC)(CCCC)[C@@H](C)c1ccccc1
InChIInChI=1S/C17H26/c1-5-8-14-17(6-2,7-3)15(4)16-12-10-9-11-13-16/h6,9-13,15H,2,5,7-8,14H2,1,3-4H3/t15-,17+/m0/s1
InChIKeyRCPKOQRXUFBUSV-DOTOQJQBSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2-ethenyl-2-ethyl-1-(methoxymethoxy)hexyl]benzene
CID 139263522
CID 67364788
CID 67364788
oct-1-en-4-ylbenzene
CID 22247233
3-benzylhept-1-en-3-amine
CID 174302604
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
(E,1S,2S)-2-butyl-2-methyl-1-phenylhex-3-en-1-ol
CID 102326663
tetradec-13-en-7-ylbenzene
CID 140694824
10-phenyltetradecan-5-ylbenzene
CID 22891787
(2S)-2-methyl-2-[(1S)-1-phenylethyl]but-3-enoic acid
CID 101139802
2,2,4-trimethyloctan-3-ylbenzene
CID 151316851
2,3,5,5-tetramethyl-3-phenyl-2-(1-phenylethyl)nonan-1-amine
CID 130356405
tributyl(1-phenylprop-2-enyl)-λ4-sulfane
CID 69194174

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene?
The IUPAC name of [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene (CID 15652057) is [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene.
What is the SMILES notation for [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene?
The canonical SMILES for [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene is C=C[C@@](CC)(CCCC)[C@@H](C)c1ccccc1.
What is the InChIKey of [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene?
The InChIKey is RCPKOQRXUFBUSV-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H26/c1-5-8-14-17(6-2,7-3)15(4)16-12-10-9-11-13-16/h6,9-13,15H,2,5,7-8,14H2,1,3-4H3/t15-,17+/m0/s1.
What are the key properties of [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene?
[(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene has a molecular weight of 230.39 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-ethenyl-3-ethylheptan-2-yl]benzene is sourced from PubChem (CID 15652057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).