but-1-en-2-ylcyclohexane

C10H18 — CID 15920400

IUPACbut-1-en-2-ylcyclohexane
SMILESC=C(CC)C1CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h10H,2-8H2,1H3
InChIKeyIHTZVHVTPAAFJQ-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds2

About but-1-en-2-ylcyclohexane

but-1-en-2-ylcyclohexane (PubChem CID 15920400) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is but-1-en-2-ylcyclohexane.

Molecular Properties

Compound Namebut-1-en-2-ylcyclohexane
PubChem CID15920400
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Namebut-1-en-2-ylcyclohexane
SMILESC=C(CC)C1CCCCC1
InChIInChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h10H,2-8H2,1H3
InChIKeyIHTZVHVTPAAFJQ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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 but-1-en-2-ylcyclohexane?
The IUPAC name of but-1-en-2-ylcyclohexane (CID 15920400) is but-1-en-2-ylcyclohexane.
What is the SMILES notation for but-1-en-2-ylcyclohexane?
The canonical SMILES for but-1-en-2-ylcyclohexane is C=C(CC)C1CCCCC1.
What is the InChIKey of but-1-en-2-ylcyclohexane?
The InChIKey is IHTZVHVTPAAFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-3-9(2)10-7-5-4-6-8-10/h10H,2-8H2,1H3.
What are the key properties of but-1-en-2-ylcyclohexane?
but-1-en-2-ylcyclohexane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-ylcyclohexane is sourced from PubChem (CID 15920400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).