(3R)-3-[(2R)-butan-2-yl]cyclopentene

C9H16 — CID 143832917

IUPAC(3R)-3-[(2R)-butan-2-yl]cyclopentene
SMILESCC[C@@H](C)[C@@H]1C=CCC1
InChIInChI=1S/C9H16/c1-3-8(2)9-6-4-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyVMTYPOXKMKYYAH-RKDXNWHRSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds2

About (3R)-3-[(2R)-butan-2-yl]cyclopentene

(3R)-3-[(2R)-butan-2-yl]cyclopentene (PubChem CID 143832917) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3R)-3-[(2R)-butan-2-yl]cyclopentene.

Molecular Properties

Compound Name(3R)-3-[(2R)-butan-2-yl]cyclopentene
PubChem CID143832917
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3R)-3-[(2R)-butan-2-yl]cyclopentene
SMILESCC[C@@H](C)[C@@H]1C=CCC1
InChIInChI=1S/C9H16/c1-3-8(2)9-6-4-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyVMTYPOXKMKYYAH-RKDXNWHRSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
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

[(1S)-1-[(1S)-cyclopent-2-en-1-yl]propoxy]-tri(propan-2-yl)silane
CID 11403319
(1S)-1-[(1S,2Z)-cyclonon-2-en-1-yl]propan-1-ol
CID 11030459
(2R)-2-[(1S)-cyclopent-2-en-1-yl]propanoic acid
CID 55301012
(4S)-4-[(2S)-butan-2-yl]cyclohexene
CID 175915978
[(1S)-cyclopent-2-en-1-yl]methanediol
CID 134407008
3-(dimethoxymethyl)cyclopentene
CID 12723451
3-[(2S)-butan-2-yl]-5-propan-2-ylcyclopentene
CID 163706174
3-[(4R)-4-cyclohexylpentan-2-yl]cyclohexene
CID 142490975
3-butan-2-yl-5-methylcyclopentene
CID 143604175
ethane;(3R)-3-ethylcyclopentene
CID 145484001
4-cyclohex-2-en-1-yl-2-methylpentanoic acid
CID 22395768
3-butan-2-yl-5-methylcyclopentene;methane
CID 143604174

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2R)-butan-2-yl]cyclopentene?
The IUPAC name of (3R)-3-[(2R)-butan-2-yl]cyclopentene (CID 143832917) is (3R)-3-[(2R)-butan-2-yl]cyclopentene.
What is the SMILES notation for (3R)-3-[(2R)-butan-2-yl]cyclopentene?
The canonical SMILES for (3R)-3-[(2R)-butan-2-yl]cyclopentene is CC[C@@H](C)[C@@H]1C=CCC1.
What is the InChIKey of (3R)-3-[(2R)-butan-2-yl]cyclopentene?
The InChIKey is VMTYPOXKMKYYAH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H16/c1-3-8(2)9-6-4-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R)-3-[(2R)-butan-2-yl]cyclopentene?
(3R)-3-[(2R)-butan-2-yl]cyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2R)-butan-2-yl]cyclopentene is sourced from PubChem (CID 143832917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).