3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane

C14H24O2 — CID 176605084

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane
SMILESCC1(CCOC=C2CCCC2)CCCOC1
InChIInChI=1S/C14H24O2/c1-14(7-4-9-16-12-14)8-10-15-11-13-5-2-3-6-13/h11H,2-10,12H2,1H3
InChIKeyKYXQSHBFFKYLHB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane

3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane (PubChem CID 176605084) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane
PubChem CID176605084
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane
SMILESCC1(CCOC=C2CCCC2)CCCOC1
InChIInChI=1S/C14H24O2/c1-14(7-4-9-16-12-14)8-10-15-11-13-5-2-3-6-13/h11H,2-10,12H2,1H3
InChIKeyKYXQSHBFFKYLHB-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Methoxymethyl)-1-methyl-3-methylidenecyclopentane;1-methoxypropa-1,2-diene
CID 142115726
1-(1-Ethoxypropa-1,2-dienyl)-1-methyl-3-methylidenecyclopentane
CID 142115926
(3Z)-3-(methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277602
3-(Methoxymethylidene)-7-oxaspiro[3.5]nonane
CID 163277760
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxane
CID 176603059
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethyloxane
CID 176603273
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethyloxolane
CID 176603521
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethyloxane
CID 176603595
4-(Cyclopentylidenemethoxymethyl)-4-ethyloxane
CID 176604071
4-(Cyclopentylidenemethoxymethyl)-4-methyloxane
CID 176604122
4-[2-(Cyclopentylidenemethoxy)ethyl]-4-methyloxane
CID 176604630
4-Ethyl-4-[3-(2-methylprop-1-enoxy)propyl]oxane
CID 176604638

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane (CID 176605084) is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane is CC1(CCOC=C2CCCC2)CCCOC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane?
The InChIKey is KYXQSHBFFKYLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(7-4-9-16-12-14)8-10-15-11-13-5-2-3-6-13/h11H,2-10,12H2,1H3.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane?
3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methyloxane is sourced from PubChem (CID 176605084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).