1-propan-2-yl-2-prop-2-ynylcyclopentane

C11H18 — CID 163812852

IUPAC1-propan-2-yl-2-prop-2-ynylcyclopentane
SMILESC#CCC1CCCC1C(C)C
InChIInChI=1S/C11H18/c1-4-6-10-7-5-8-11(10)9(2)3/h1,9-11H,5-8H2,2-3H3
InChIKeyNOTPGJRMXCEINI-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.08
Rot. Bonds2

About 1-propan-2-yl-2-prop-2-ynylcyclopentane

1-propan-2-yl-2-prop-2-ynylcyclopentane (PubChem CID 163812852) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1-propan-2-yl-2-prop-2-ynylcyclopentane.

Molecular Properties

Compound Name1-propan-2-yl-2-prop-2-ynylcyclopentane
PubChem CID163812852
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1-propan-2-yl-2-prop-2-ynylcyclopentane
SMILESC#CCC1CCCC1C(C)C
InChIInChI=1S/C11H18/c1-4-6-10-7-5-8-11(10)9(2)3/h1,9-11H,5-8H2,2-3H3
InChIKeyNOTPGJRMXCEINI-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-prop-2-ynylcyclopentane?
The IUPAC name of 1-propan-2-yl-2-prop-2-ynylcyclopentane (CID 163812852) is 1-propan-2-yl-2-prop-2-ynylcyclopentane.
What is the SMILES notation for 1-propan-2-yl-2-prop-2-ynylcyclopentane?
The canonical SMILES for 1-propan-2-yl-2-prop-2-ynylcyclopentane is C#CCC1CCCC1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-prop-2-ynylcyclopentane?
The InChIKey is NOTPGJRMXCEINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-6-10-7-5-8-11(10)9(2)3/h1,9-11H,5-8H2,2-3H3.
What are the key properties of 1-propan-2-yl-2-prop-2-ynylcyclopentane?
1-propan-2-yl-2-prop-2-ynylcyclopentane has a molecular weight of 150.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-prop-2-ynylcyclopentane is sourced from PubChem (CID 163812852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).