(3S)-1,3-dimethylcyclobutene

C6H10 — CID 58737300

IUPAC(3S)-1,3-dimethylcyclobutene
SMILESCC1=C[C@@H](C)C1
InChIInChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyNMEAQEWKOFLHNI-RXMQYKEDSA-N
MW82.15 g/mol
LogP1.97
Rot. Bonds

About (3S)-1,3-dimethylcyclobutene

(3S)-1,3-dimethylcyclobutene (PubChem CID 58737300) has the molecular formula C6H10 and a molecular weight of 82.15 g/mol. Its IUPAC name is (3S)-1,3-dimethylcyclobutene.

Molecular Properties

Compound Name(3S)-1,3-dimethylcyclobutene
PubChem CID58737300
Molecular FormulaC6H10
Molecular Weight82.15 g/mol
Exact Mass82.08
IUPAC Name(3S)-1,3-dimethylcyclobutene
SMILESCC1=C[C@@H](C)C1
InChIInChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyNMEAQEWKOFLHNI-RXMQYKEDSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.15
LogP ≤ 51.97
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 (3S)-1,3-dimethylcyclobutene?
The IUPAC name of (3S)-1,3-dimethylcyclobutene (CID 58737300) is (3S)-1,3-dimethylcyclobutene.
What is the SMILES notation for (3S)-1,3-dimethylcyclobutene?
The canonical SMILES for (3S)-1,3-dimethylcyclobutene is CC1=C[C@@H](C)C1.
What is the InChIKey of (3S)-1,3-dimethylcyclobutene?
The InChIKey is NMEAQEWKOFLHNI-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of (3S)-1,3-dimethylcyclobutene?
(3S)-1,3-dimethylcyclobutene has a molecular weight of 82.15 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylcyclobutene is sourced from PubChem (CID 58737300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).