(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene

C10H18 — CID 149377273

IUPAC(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
SMILESCC[C@H](C)[C@@H]1CC=CC1C
InChIInChI=1S/C10H18/c1-4-8(2)10-7-5-6-9(10)3/h5-6,8-10H,4,7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyYKYYIDKVAZSHHF-SMILAEQMSA-N
MW138.25 g/mol
LogP3.24
Rot. Bonds2

About (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene

(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene (PubChem CID 149377273) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene.

Molecular Properties

Compound Name(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
PubChem CID149377273
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
SMILESCC[C@H](C)[C@@H]1CC=CC1C
InChIInChI=1S/C10H18/c1-4-8(2)10-7-5-6-9(10)3/h5-6,8-10H,4,7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyYKYYIDKVAZSHHF-SMILAEQMSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
3,4-dimethylcyclopentene;(Z)-3,4-dimethylhex-2-ene;ethane
CID 145020168
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
(4S)-4-[(2S)-butan-2-yl]cyclohexene
CID 175915978
(4S)-3,4-dimethylcyclopentene
CID 145216424
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
(2R)-2-butan-2-ylcyclopropane-1-thiol
CID 89002970
(2S)-3-methyl-2-[(1S,6R)-6-methylcyclohex-3-en-1-yl]butan-1-amine
CID 163545589
1-butan-2-yl-2-ethylcyclopentane
CID 91358263
1-[(2S)-butan-2-yl]-2-ethylcyclopentane
CID 146934548
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
CID 89393198
3-butan-2-yl-5-methylcyclopentene
CID 143604175

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene?
The IUPAC name of (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene (CID 149377273) is (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene.
What is the SMILES notation for (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene?
The canonical SMILES for (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene is CC[C@H](C)[C@@H]1CC=CC1C.
What is the InChIKey of (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene?
The InChIKey is YKYYIDKVAZSHHF-SMILAEQMSA-N. The full InChI is InChI=1S/C10H18/c1-4-8(2)10-7-5-6-9(10)3/h5-6,8-10H,4,7H2,1-3H3/t8-,9?,10-/m0/s1.
What are the key properties of (4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene?
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.24, 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]-3-methylcyclopentene is sourced from PubChem (CID 149377273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).