1-ethyl-1-prop-2-ynylcyclopropane

C8H12 — CID 177343020

IUPAC1-ethyl-1-prop-2-ynylcyclopropane
SMILESC#CCC1(CC)CC1
InChIInChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h1H,4-7H2,2H3
InChIKeyYXOOWIDXHOORLO-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.20
Rot. Bonds2

About 1-ethyl-1-prop-2-ynylcyclopropane

1-ethyl-1-prop-2-ynylcyclopropane (PubChem CID 177343020) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-ethyl-1-prop-2-ynylcyclopropane.

Molecular Properties

Compound Name1-ethyl-1-prop-2-ynylcyclopropane
PubChem CID177343020
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-ethyl-1-prop-2-ynylcyclopropane
SMILESC#CCC1(CC)CC1
InChIInChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h1H,4-7H2,2H3
InChIKeyYXOOWIDXHOORLO-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.20
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

1,1-diethylcyclopropane;ethane;propane
CID 162386463
(4-methyl-1-prop-2-ynylcyclohexyl)methanamine
CID 126977400
ethane;1-ethyl-1-propylcyclopropane;propane
CID 177054904
1-ethyl-1-(methoxymethyl)cyclopropane
CID 23568583
(1,4,4-triethylcyclohexyl)azanium hydroxide
CID 140513463
CID 163370495
CID 163370495
tert-butyl-dimethyl-[(1-prop-2-ynylcyclobutyl)methoxy]silane
CID 165342832
1-prop-2-ynylcyclobutan-1-ol
CID 22129000
3-ethyl-3-(prop-2-ynoxymethyl)oxetane
CID 102192429
1,1-diethylcyclohexane;ethane
CID 142116480
CID 159549662
CID 159549662
1-prop-2-ynylcyclododecan-1-ol
CID 134093446

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-prop-2-ynylcyclopropane?
The IUPAC name of 1-ethyl-1-prop-2-ynylcyclopropane (CID 177343020) is 1-ethyl-1-prop-2-ynylcyclopropane.
What is the SMILES notation for 1-ethyl-1-prop-2-ynylcyclopropane?
The canonical SMILES for 1-ethyl-1-prop-2-ynylcyclopropane is C#CCC1(CC)CC1.
What is the InChIKey of 1-ethyl-1-prop-2-ynylcyclopropane?
The InChIKey is YXOOWIDXHOORLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-3-5-8(4-2)6-7-8/h1H,4-7H2,2H3.
What are the key properties of 1-ethyl-1-prop-2-ynylcyclopropane?
1-ethyl-1-prop-2-ynylcyclopropane has a molecular weight of 108.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-prop-2-ynylcyclopropane is sourced from PubChem (CID 177343020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).