4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene

C15H26 — CID 163646456

IUPAC4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene
SMILESC=C[C@H](CC)C(C)(CC)C1CC=CCC1
InChIInChI=1S/C15H26/c1-5-13(6-2)15(4,7-3)14-11-9-8-10-12-14/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3/t13-,14?,15?/m1/s1
InChIKeyIIPZRWDGAABGBQ-WLYUNCDWSA-N
MW206.37 g/mol
LogP4.97
Rot. Bonds5

About 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene

4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene (PubChem CID 163646456) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene.

Molecular Properties

Compound Name4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene
PubChem CID163646456
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene
SMILESC=C[C@H](CC)C(C)(CC)C1CC=CCC1
InChIInChI=1S/C15H26/c1-5-13(6-2)15(4,7-3)14-11-9-8-10-12-14/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3/t13-,14?,15?/m1/s1
InChIKeyIIPZRWDGAABGBQ-WLYUNCDWSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.97
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 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene?
The IUPAC name of 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene (CID 163646456) is 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene.
What is the SMILES notation for 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene?
The canonical SMILES for 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene is C=C[C@H](CC)C(C)(CC)C1CC=CCC1.
What is the InChIKey of 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene?
The InChIKey is IIPZRWDGAABGBQ-WLYUNCDWSA-N. The full InChI is InChI=1S/C15H26/c1-5-13(6-2)15(4,7-3)14-11-9-8-10-12-14/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3/t13-,14?,15?/m1/s1.
What are the key properties of 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene?
4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene has a molecular weight of 206.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-ethyl-3-methylhex-5-en-3-yl]cyclohexene is sourced from PubChem (CID 163646456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).