(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane

C13H24O2 — CID 139263558

IUPAC(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane
SMILESC=C1CCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C13H24O2/c1-4-14-12(3)15-10-6-9-13-8-5-7-11(13)2/h12-13H,2,4-10H2,1,3H3/t12?,13-/m1/s1
InChIKeyBUXOAQNBZUFIHS-ZGTCLIOFSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds7

About (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane

(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane (PubChem CID 139263558) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane
PubChem CID139263558
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane
SMILESC=C1CCC[C@@H]1CCCOC(C)OCC
InChIInChI=1S/C13H24O2/c1-4-14-12(3)15-10-6-9-13-8-5-7-11(13)2/h12-13H,2,4-10H2,1,3H3/t12?,13-/m1/s1
InChIKeyBUXOAQNBZUFIHS-ZGTCLIOFSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Isopropenyl-5-methylcyclopentylmethoxy)tetrahydropyran
CID 559128
Citronellaldimethylacetal
CID 14028841
4-(3-(1-Ethoxyethoxy)-1-methylenepropyl)-1-methylcyclohexene
CID 175289
(3R,4aR,7R)-3-ethoxy-7-methyl-3,4,4a,5,6,7-hexahydrocyclopenta[c]pyran
CID 11367387
(2R,3R)-5-butoxy-2-butyl-3-prop-1-en-2-yloxolane
CID 12172621
5-butan-2-yl-2-ethoxy-3,4-dihydro-2H-pyran
CID 12488843
2-Methyl-2-(3-prop-1-en-2-ylheptyl)-1,3-dioxolane
CID 12622224
2-(3-Cyclohexylbut-3-enyl)-1,3-dioxolane
CID 17753717
7,7-Diethoxy-2-methylhept-1-ene
CID 121007956
2,6-Dimethyl-9,9-dimethoxynon-1-ene
CID 129749176
(1S)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclobutane
CID 139263559
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclohexane
CID 139263560

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane?
The IUPAC name of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane (CID 139263558) is (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane.
What is the SMILES notation for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane?
The canonical SMILES for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane is C=C1CCC[C@@H]1CCCOC(C)OCC.
What is the InChIKey of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane?
The InChIKey is BUXOAQNBZUFIHS-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-14-12(3)15-10-6-9-13-8-5-7-11(13)2/h12-13H,2,4-10H2,1,3H3/t12?,13-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane?
(1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethoxyethoxy)propyl]-2-methylidenecyclopentane is sourced from PubChem (CID 139263558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).