5-ethyl-1-methyl-2-prop-2-enoxycycloheptane

C13H24O — CID 163991932

IUPAC5-ethyl-1-methyl-2-prop-2-enoxycycloheptane
SMILESC=CCOC1CCC(CC)CCC1C
InChIInChI=1S/C13H24O/c1-4-10-14-13-9-8-12(5-2)7-6-11(13)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyJOIIHOZKEGTNGE-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.79
Rot. Bonds4

About 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane

5-ethyl-1-methyl-2-prop-2-enoxycycloheptane (PubChem CID 163991932) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane.

Molecular Properties

Compound Name5-ethyl-1-methyl-2-prop-2-enoxycycloheptane
PubChem CID163991932
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name5-ethyl-1-methyl-2-prop-2-enoxycycloheptane
SMILESC=CCOC1CCC(CC)CCC1C
InChIInChI=1S/C13H24O/c1-4-10-14-13-9-8-12(5-2)7-6-11(13)3/h4,11-13H,1,5-10H2,2-3H3
InChIKeyJOIIHOZKEGTNGE-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-1-methyl-2-prop-2-enoxycyclododecane
CID 10657598
ethenol;ethylcyclopropane
CID 18331953
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane
CID 158958125
1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899765
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
azane;ethylcyclopropane
CID 20975579
ethane;ethylcyclopropane
CID 91380076
4-(2-methylcyclohexyl)oxybut-2-en-1-amine
CID 77110474
ethylcyclopentane;prop-1-ene
CID 142059151
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
2-chloro-4-ethyl-1-methylcyclohexane
CID 89207092
1-methyl-3-prop-2-enoxycyclohexane
CID 90739915

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane?
The IUPAC name of 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane (CID 163991932) is 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane.
What is the SMILES notation for 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane?
The canonical SMILES for 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane is C=CCOC1CCC(CC)CCC1C.
What is the InChIKey of 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane?
The InChIKey is JOIIHOZKEGTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-10-14-13-9-8-12(5-2)7-6-11(13)3/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane?
5-ethyl-1-methyl-2-prop-2-enoxycycloheptane has a molecular weight of 196.33 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-2-prop-2-enoxycycloheptane is sourced from PubChem (CID 163991932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).