3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene

C14H24O2 — CID 142754027

IUPAC3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene
SMILESCOCC1(COC)C=C(C(C)(C)C)C=C1C
InChIInChI=1S/C14H24O2/c1-11-7-12(13(2,3)4)8-14(11,9-15-5)10-16-6/h7-8H,9-10H2,1-6H3
InChIKeyDMSMOULCEOLPFD-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.20
Rot. Bonds4

About 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene

3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene (PubChem CID 142754027) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene
PubChem CID142754027
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene
SMILESCOCC1(COC)C=C(C(C)(C)C)C=C1C
InChIInChI=1S/C14H24O2/c1-11-7-12(13(2,3)4)8-14(11,9-15-5)10-16-6/h7-8H,9-10H2,1-6H3
InChIKeyDMSMOULCEOLPFD-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene?
The IUPAC name of 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene (CID 142754027) is 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene.
What is the SMILES notation for 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene?
The canonical SMILES for 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene is COCC1(COC)C=C(C(C)(C)C)C=C1C.
What is the InChIKey of 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene?
The InChIKey is DMSMOULCEOLPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-7-12(13(2,3)4)8-14(11,9-15-5)10-16-6/h7-8H,9-10H2,1-6H3.
What are the key properties of 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene?
3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene has a molecular weight of 224.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-bis(methoxymethyl)-1-methylcyclopenta-1,3-diene is sourced from PubChem (CID 142754027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).