1,1-dimethyl-2-pent-1-ynylcyclopropane

C10H16 — CID 91208858

IUPAC1,1-dimethyl-2-pent-1-ynylcyclopropane
SMILESCCCC#CC1CC1(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-9-8-10(9,2)3/h9H,4-5,8H2,1-3H3
InChIKeyIBFLBGUGRHVNDV-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.84
Rot. Bonds1

About 1,1-dimethyl-2-pent-1-ynylcyclopropane

1,1-dimethyl-2-pent-1-ynylcyclopropane (PubChem CID 91208858) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,1-dimethyl-2-pent-1-ynylcyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-pent-1-ynylcyclopropane
PubChem CID91208858
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,1-dimethyl-2-pent-1-ynylcyclopropane
SMILESCCCC#CC1CC1(C)C
InChIInChI=1S/C10H16/c1-4-5-6-7-9-8-10(9,2)3/h9H,4-5,8H2,1-3H3
InChIKeyIBFLBGUGRHVNDV-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.84
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 1,1-dimethyl-2-pent-1-ynylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-pent-1-ynylcyclopropane (CID 91208858) is 1,1-dimethyl-2-pent-1-ynylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-pent-1-ynylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-pent-1-ynylcyclopropane is CCCC#CC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-pent-1-ynylcyclopropane?
The InChIKey is IBFLBGUGRHVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-5-6-7-9-8-10(9,2)3/h9H,4-5,8H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-pent-1-ynylcyclopropane?
1,1-dimethyl-2-pent-1-ynylcyclopropane has a molecular weight of 136.24 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-pent-1-ynylcyclopropane is sourced from PubChem (CID 91208858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).