(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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Related Compounds

(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde
CID 76969259
1,3,4,5-tetramethylcyclohexene
CID 12751050
1-(3,5-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
CID 103277645
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
4-methoxy-1,3-dimethylcyclopentene
CID 174381720
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 20692709
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 143620880
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720

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).