ethenol;ethylcyclopropane

C7H14O — CID 18331953

IUPACethenol;ethylcyclopropane
SMILESC=CO.CCC1CC1
InChIInChI=1S/C5H10.C2H4O/c1-2-5-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2
InChIKeyBGFATVXABKHDRO-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.49
Rot. Bonds1

About ethenol;ethylcyclopropane

ethenol;ethylcyclopropane (PubChem CID 18331953) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is ethenol;ethylcyclopropane.

Molecular Properties

Compound Nameethenol;ethylcyclopropane
PubChem CID18331953
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nameethenol;ethylcyclopropane
SMILESC=CO.CCC1CC1
InChIInChI=1S/C5H10.C2H4O/c1-2-5-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2
InChIKeyBGFATVXABKHDRO-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane
CID 158958125
bis(but-3-en-2-one);1,4-diethylcyclohexane;ethene;propane
CID 145237669
ethylcyclopentane;prop-1-ene
CID 142059151
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
4-ethylcyclohexan-1-ol;formic acid
CID 175472240
N-but-3-en-2-yl-4-ethylcyclohexan-1-amine
CID 115727829
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
ethanamine;ethylcyclopropane
CID 70018487
1-ethyl-4-[2-(4-ethylcyclohexyl)ethenyl]cyclohexane
CID 140739356

Frequently Asked Questions

What is the IUPAC name of ethenol;ethylcyclopropane?
The IUPAC name of ethenol;ethylcyclopropane (CID 18331953) is ethenol;ethylcyclopropane.
What is the SMILES notation for ethenol;ethylcyclopropane?
The canonical SMILES for ethenol;ethylcyclopropane is C=CO.CCC1CC1.
What is the InChIKey of ethenol;ethylcyclopropane?
The InChIKey is BGFATVXABKHDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C2H4O/c1-2-5-3-4-5;1-2-3/h5H,2-4H2,1H3;2-3H,1H2.
What are the key properties of ethenol;ethylcyclopropane?
ethenol;ethylcyclopropane has a molecular weight of 114.19 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;ethylcyclopropane is sourced from PubChem (CID 18331953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).