2-but-3-enyl-6-methylcyclohexa-1,3-diene

C11H16 — CID 143907191

IUPAC2-but-3-enyl-6-methylcyclohexa-1,3-diene
SMILESC=CCCC1=CC(C)CC=C1
InChIInChI=1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h3,5,8-10H,1,4,6-7H2,2H3
InChIKeyLYSFEVTYGMRIMY-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds3

About 2-but-3-enyl-6-methylcyclohexa-1,3-diene

2-but-3-enyl-6-methylcyclohexa-1,3-diene (PubChem CID 143907191) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-but-3-enyl-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-but-3-enyl-6-methylcyclohexa-1,3-diene
PubChem CID143907191
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name2-but-3-enyl-6-methylcyclohexa-1,3-diene
SMILESC=CCCC1=CC(C)CC=C1
InChIInChI=1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h3,5,8-10H,1,4,6-7H2,2H3
InChIKeyLYSFEVTYGMRIMY-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
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

N-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]but-3-en-1-amine;molecular hydrogen
CID 143306440
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]acetamide
CID 143087943
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide
CID 137427518
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247
N-[2-(3-methylcyclohexa-1,5-dien-1-yl)ethyl]-3-oxobutanamide
CID 126537901
(4R)-1-but-3-enyl-4-methylcyclobutene
CID 140872621
2-[(1Z,3Z)-hexa-1,3-dienyl]-6-methylcyclohexa-1,3-diene
CID 144902393
1-methyl-3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]benzene
CID 142806847
N-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]phenyl]ethanamine
CID 163568001
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
CID 163486366

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-but-3-enyl-6-methylcyclohexa-1,3-diene (CID 143907191) is 2-but-3-enyl-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-but-3-enyl-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-but-3-enyl-6-methylcyclohexa-1,3-diene is C=CCCC1=CC(C)CC=C1.
What is the InChIKey of 2-but-3-enyl-6-methylcyclohexa-1,3-diene?
The InChIKey is LYSFEVTYGMRIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-4-7-11-8-5-6-10(2)9-11/h3,5,8-10H,1,4,6-7H2,2H3.
What are the key properties of 2-but-3-enyl-6-methylcyclohexa-1,3-diene?
2-but-3-enyl-6-methylcyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143907191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).