but-3-en-1-ynylcyclohexane

C10H14 — CID 10931474

IUPACbut-3-en-1-ynylcyclohexane
SMILESC=CC#CC1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,4-6,8-9H2
InChIKeyCHIZVRJKQFDBPJ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.76
Rot. Bonds

About but-3-en-1-ynylcyclohexane

but-3-en-1-ynylcyclohexane (PubChem CID 10931474) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is but-3-en-1-ynylcyclohexane.

Molecular Properties

Compound Namebut-3-en-1-ynylcyclohexane
PubChem CID10931474
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Namebut-3-en-1-ynylcyclohexane
SMILESC=CC#CC1CCCCC1
InChIInChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,4-6,8-9H2
InChIKeyCHIZVRJKQFDBPJ-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.76
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

1-but-3-en-1-ynyl-4-methylcyclohexane
CID 142876021
prop-1-ynylcyclododecane
CID 141054951
lithium 2-cyclohexylethynolate
CID 23667969
prop-1-ynylcyclopentane
CID 20764675
[(E)-hex-3-en-1-ynyl]cyclopentane
CID 163810964
4-cyclohexylbut-3-ynal
CID 22058805
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
1-(1-cyclohexylpent-4-en-2-ynyl)cyclohexa-2,4-dien-1-ol
CID 154346301
tricyclohexyl(2-cyclopentylethynyl)boranuide
CID 135048863
3-propylhex-1-ynylcyclohexane
CID 174832494
(4,4-dimethyl-3-methylidenepent-1-ynyl)cyclohexane
CID 58408810
cyclooctanecarbonitrile
CID 13075060

Frequently Asked Questions

What is the IUPAC name of but-3-en-1-ynylcyclohexane?
The IUPAC name of but-3-en-1-ynylcyclohexane (CID 10931474) is but-3-en-1-ynylcyclohexane.
What is the SMILES notation for but-3-en-1-ynylcyclohexane?
The canonical SMILES for but-3-en-1-ynylcyclohexane is C=CC#CC1CCCCC1.
What is the InChIKey of but-3-en-1-ynylcyclohexane?
The InChIKey is CHIZVRJKQFDBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h2,10H,1,4-6,8-9H2.
What are the key properties of but-3-en-1-ynylcyclohexane?
but-3-en-1-ynylcyclohexane has a molecular weight of 134.22 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-1-ynylcyclohexane is sourced from PubChem (CID 10931474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).