(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane

C13H24O — CID 135084042

IUPAC(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane
SMILESC=CCCC[C@@H]1[C@H](COC)[C@]1(C)CC
InChIInChI=1S/C13H24O/c1-5-7-8-9-11-12(10-14-4)13(11,3)6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyHUORZNYFKKRFGF-FRRDWIJNSA-N
MW196.33 g/mol
LogP3.65
Rot. Bonds7

About (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane

(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane (PubChem CID 135084042) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane.

Molecular Properties

Compound Name(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane
PubChem CID135084042
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane
SMILESC=CCCC[C@@H]1[C@H](COC)[C@]1(C)CC
InChIInChI=1S/C13H24O/c1-5-7-8-9-11-12(10-14-4)13(11,3)6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m1/s1
InChIKeyHUORZNYFKKRFGF-FRRDWIJNSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
1-(3-hydroxy-1,1-dimethoxypropan-2-yl)oxy-2-methyl-3-undec-10-enylcyclopropan-1-ol
CID 123557394
4-methoxy-2,2-dimethyl-6-pent-4-enyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 123243953
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
7-methoxynon-1-ene
CID 91435315
(2S,3R)-3-pent-4-enyloxirane-2-carbaldehyde
CID 23271404
hex-1-ene;zinc
CID 174554611
methyl (1S,6R)-1-methyl-4-oxo-6-pent-4-enylcyclohex-2-ene-1-carboxylate
CID 11390720
CID 155641380
CID 155641380
1-ethyl-2-(methoxymethyl)-1,5-dimethylcyclopentane
CID 177139058
7,8-dimethoxyoct-1-ene
CID 3022579
2-decyl-3-pent-4-enyloxirane
CID 57481003

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane?
The IUPAC name of (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane (CID 135084042) is (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane.
What is the SMILES notation for (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane?
The canonical SMILES for (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane is C=CCCC[C@@H]1[C@H](COC)[C@]1(C)CC.
What is the InChIKey of (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane?
The InChIKey is HUORZNYFKKRFGF-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H24O/c1-5-7-8-9-11-12(10-14-4)13(11,3)6-2/h5,11-12H,1,6-10H2,2-4H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane?
(1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane has a molecular weight of 196.33 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-ethyl-2-(methoxymethyl)-1-methyl-3-pent-4-enylcyclopropane is sourced from PubChem (CID 135084042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).