prop-1-en-2-ylcycloheptane

C10H18 — CID 18427153

IUPACprop-1-en-2-ylcycloheptane
SMILESC=C(C)C1CCCCCC1
InChIInChI=1S/C10H18/c1-9(2)10-7-5-3-4-6-8-10/h10H,1,3-8H2,2H3
InChIKeyMJOWUJFMBMQAFS-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About prop-1-en-2-ylcycloheptane

prop-1-en-2-ylcycloheptane (PubChem CID 18427153) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is prop-1-en-2-ylcycloheptane.

Molecular Properties

Compound Nameprop-1-en-2-ylcycloheptane
PubChem CID18427153
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Nameprop-1-en-2-ylcycloheptane
SMILESC=C(C)C1CCCCCC1
InChIInChI=1S/C10H18/c1-9(2)10-7-5-3-4-6-8-10/h10H,1,3-8H2,2H3
InChIKeyMJOWUJFMBMQAFS-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 prop-1-en-2-ylcycloheptane?
The IUPAC name of prop-1-en-2-ylcycloheptane (CID 18427153) is prop-1-en-2-ylcycloheptane.
What is the SMILES notation for prop-1-en-2-ylcycloheptane?
The canonical SMILES for prop-1-en-2-ylcycloheptane is C=C(C)C1CCCCCC1.
What is the InChIKey of prop-1-en-2-ylcycloheptane?
The InChIKey is MJOWUJFMBMQAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-9(2)10-7-5-3-4-6-8-10/h10H,1,3-8H2,2H3.
What are the key properties of prop-1-en-2-ylcycloheptane?
prop-1-en-2-ylcycloheptane has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-ylcycloheptane is sourced from PubChem (CID 18427153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).