1-but-3-en-1-ynyl-4-methylcyclohexane

C11H16 — CID 142876021

IUPAC1-but-3-en-1-ynyl-4-methylcyclohexane
SMILESC=CC#CC1CCC(C)CC1
InChIInChI=1S/C11H16/c1-3-4-5-11-8-6-10(2)7-9-11/h3,10-11H,1,6-9H2,2H3
InChIKeyUPWNSUGCXNOQKJ-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.00
Rot. Bonds

About 1-but-3-en-1-ynyl-4-methylcyclohexane

1-but-3-en-1-ynyl-4-methylcyclohexane (PubChem CID 142876021) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-but-3-en-1-ynyl-4-methylcyclohexane.

Molecular Properties

Compound Name1-but-3-en-1-ynyl-4-methylcyclohexane
PubChem CID142876021
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-but-3-en-1-ynyl-4-methylcyclohexane
SMILESC=CC#CC1CCC(C)CC1
InChIInChI=1S/C11H16/c1-3-4-5-11-8-6-10(2)7-9-11/h3,10-11H,1,6-9H2,2H3
InChIKeyUPWNSUGCXNOQKJ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

but-3-en-1-ynylcyclohexane
CID 10931474
methane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 160901887
1-ethyl-4-[2-(4-methylcyclohexyl)ethynyl]cyclohexane
CID 19984734
1-hexa-1,3,5-triynyl-4-methylcyclohexane
CID 58711190
1-ethynyl-4-methylcyclohexane;formaldehyde
CID 171105217
1-methyl-4-[2-[4-(5-methylhexan-2-yl)cyclohexyl]ethynyl]cyclohexane
CID 145373315
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-methyl-4-(3,6,7,10-tetramethylundec-1-ynyl)cyclohexane
CID 142427618
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
N-ethenyl-4-methylcyclohexan-1-amine
CID 58476110
6-(4-methylcyclohexyl)hex-5-yn-1-ol
CID 140577326

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-1-ynyl-4-methylcyclohexane?
The IUPAC name of 1-but-3-en-1-ynyl-4-methylcyclohexane (CID 142876021) is 1-but-3-en-1-ynyl-4-methylcyclohexane.
What is the SMILES notation for 1-but-3-en-1-ynyl-4-methylcyclohexane?
The canonical SMILES for 1-but-3-en-1-ynyl-4-methylcyclohexane is C=CC#CC1CCC(C)CC1.
What is the InChIKey of 1-but-3-en-1-ynyl-4-methylcyclohexane?
The InChIKey is UPWNSUGCXNOQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-4-5-11-8-6-10(2)7-9-11/h3,10-11H,1,6-9H2,2H3.
What are the key properties of 1-but-3-en-1-ynyl-4-methylcyclohexane?
1-but-3-en-1-ynyl-4-methylcyclohexane has a molecular weight of 148.25 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-1-ynyl-4-methylcyclohexane is sourced from PubChem (CID 142876021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).