(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane

C16H28O2 — CID 177418183

IUPAC(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane
SMILESCCC1CC(COC)(COC)C/C1=C\C=C(C)C
InChIInChI=1S/C16H28O2/c1-6-14-9-16(11-17-4,12-18-5)10-15(14)8-7-13(2)3/h7-8,14H,6,9-12H2,1-5H3/b15-8+
InChIKeyQOMNIBHMBSUOIB-OVCLIPMQSA-N
MW252.40 g/mol
LogP3.98
Rot. Bonds6

About (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane

(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane (PubChem CID 177418183) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane.

Molecular Properties

Compound Name(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane
PubChem CID177418183
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane
SMILESCCC1CC(COC)(COC)C/C1=C\C=C(C)C
InChIInChI=1S/C16H28O2/c1-6-14-9-16(11-17-4,12-18-5)10-15(14)8-7-13(2)3/h7-8,14H,6,9-12H2,1-5H3/b15-8+
InChIKeyQOMNIBHMBSUOIB-OVCLIPMQSA-N
XLogP3.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane?
The IUPAC name of (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane (CID 177418183) is (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane.
What is the SMILES notation for (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane?
The canonical SMILES for (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane is CCC1CC(COC)(COC)C/C1=C\C=C(C)C.
What is the InChIKey of (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane?
The InChIKey is QOMNIBHMBSUOIB-OVCLIPMQSA-N. The full InChI is InChI=1S/C16H28O2/c1-6-14-9-16(11-17-4,12-18-5)10-15(14)8-7-13(2)3/h7-8,14H,6,9-12H2,1-5H3/b15-8+.
What are the key properties of (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane?
(4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane has a molecular weight of 252.40 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-ethyl-1,1-bis(methoxymethyl)-4-(3-methylbut-2-enylidene)cyclopentane is sourced from PubChem (CID 177418183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).