(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene

C10H14 — CID 163744091

IUPAC(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene
SMILESC#C[C@@H](C)C1C=CC[C@@H]1C
InChIInChI=1S/C10H14/c1-4-8(2)10-7-5-6-9(10)3/h1,5,7-10H,6H2,2-3H3/t8-,9+,10?/m1/s1
InChIKeyLKHTTYXXGDTGPQ-ZDGBYWQASA-N
MW134.22 g/mol
LogP2.47
Rot. Bonds1

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

(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene (PubChem CID 163744091) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene.

Molecular Properties

Compound Name(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene
PubChem CID163744091
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene
SMILESC#C[C@@H](C)C1C=CC[C@@H]1C
InChIInChI=1S/C10H14/c1-4-8(2)10-7-5-6-9(10)3/h1,5,7-10H,6H2,2-3H3/t8-,9+,10?/m1/s1
InChIKeyLKHTTYXXGDTGPQ-ZDGBYWQASA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-yn-2-yl-2-methylcyclopropane
CID 123816919
(4S)-3,4-dimethylcyclopentene
CID 145216424
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
5-methylcyclopent-2-en-1-ol
CID 23103323
3-tert-butyl-4,5-dimethylcyclohexene
CID 123727998
(3S,4S)-4-methyl-3-propan-2-ylcyclohexene
CID 54375477
3-methylcyclobutene;sulfane
CID 90110313
5-methylcyclopent-2-ene-1-carbaldehyde
CID 75994699
but-3-yn-2-ylcyclobutane
CID 123211924
3-ethenyl-4-methylcyclopentene
CID 143683311
5,6-dimethylcyclohex-2-ene-1-thiol
CID 143060463
2-[2-(1-oxopropan-2-yl)cyclopent-3-en-1-yl]propanal
CID 123828954

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene?
The IUPAC name of (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene (CID 163744091) is (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene.
What is the SMILES notation for (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene?
The canonical SMILES for (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene is C#C[C@@H](C)C1C=CC[C@@H]1C.
What is the InChIKey of (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene?
The InChIKey is LKHTTYXXGDTGPQ-ZDGBYWQASA-N. The full InChI is InChI=1S/C10H14/c1-4-8(2)10-7-5-6-9(10)3/h1,5,7-10H,6H2,2-3H3/t8-,9+,10?/m1/s1.
What are the key properties of (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene?
(4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene has a molecular weight of 134.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-but-3-yn-2-yl]-4-methylcyclopentene is sourced from PubChem (CID 163744091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).