(4S)-4-[(2S)-butan-2-yl]cyclohexene

C10H18 — CID 175915978

IUPAC(4S)-4-[(2S)-butan-2-yl]cyclohexene
SMILESCC[C@H](C)[C@@H]1CC=CCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFERWCGMASUHVGO-VHSXEESVSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds2

About (4S)-4-[(2S)-butan-2-yl]cyclohexene

(4S)-4-[(2S)-butan-2-yl]cyclohexene (PubChem CID 175915978) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4S)-4-[(2S)-butan-2-yl]cyclohexene.

Molecular Properties

Compound Name(4S)-4-[(2S)-butan-2-yl]cyclohexene
PubChem CID175915978
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4S)-4-[(2S)-butan-2-yl]cyclohexene
SMILESCC[C@H](C)[C@@H]1CC=CCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFERWCGMASUHVGO-VHSXEESVSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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 (4S)-4-[(2S)-butan-2-yl]cyclohexene?
The IUPAC name of (4S)-4-[(2S)-butan-2-yl]cyclohexene (CID 175915978) is (4S)-4-[(2S)-butan-2-yl]cyclohexene.
What is the SMILES notation for (4S)-4-[(2S)-butan-2-yl]cyclohexene?
The canonical SMILES for (4S)-4-[(2S)-butan-2-yl]cyclohexene is CC[C@H](C)[C@@H]1CC=CCC1.
What is the InChIKey of (4S)-4-[(2S)-butan-2-yl]cyclohexene?
The InChIKey is FERWCGMASUHVGO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h4-5,9-10H,3,6-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (4S)-4-[(2S)-butan-2-yl]cyclohexene?
(4S)-4-[(2S)-butan-2-yl]cyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S)-butan-2-yl]cyclohexene is sourced from PubChem (CID 175915978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).