2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene

C16H24 — CID 155697638

IUPAC2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
SMILESC=C(C)C[C@H](CC)c1ccc(C)c(CC)c1
InChIInChI=1S/C16H24/c1-6-14-11-16(9-8-13(14)5)15(7-2)10-12(3)4/h8-9,11,15H,3,6-7,10H2,1-2,4-5H3/t15-/m0/s1
InChIKeyHDKDKKYHKCDPHP-HNNXBMFYSA-N
MW216.37 g/mol
LogP5.02
Rot. Bonds5

About 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene

2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene (PubChem CID 155697638) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene.

Molecular Properties

Compound Name2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
PubChem CID155697638
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
SMILESC=C(C)C[C@H](CC)c1ccc(C)c(CC)c1
InChIInChI=1S/C16H24/c1-6-14-11-16(9-8-13(14)5)15(7-2)10-12(3)4/h8-9,11,15H,3,6-7,10H2,1-2,4-5H3/t15-/m0/s1
InChIKeyHDKDKKYHKCDPHP-HNNXBMFYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene?
The IUPAC name of 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene (CID 155697638) is 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene.
What is the SMILES notation for 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene?
The canonical SMILES for 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene is C=C(C)C[C@H](CC)c1ccc(C)c(CC)c1.
What is the InChIKey of 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene?
The InChIKey is HDKDKKYHKCDPHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24/c1-6-14-11-16(9-8-13(14)5)15(7-2)10-12(3)4/h8-9,11,15H,3,6-7,10H2,1-2,4-5H3/t15-/m0/s1.
What are the key properties of 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene?
2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene has a molecular weight of 216.37 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene is sourced from PubChem (CID 155697638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).