[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol

C14H24O2 — CID 141130168

IUPAC[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol
SMILESCCCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H24O2/c1-6-7-16-9-14(8-15)12(4)10(2)11(3)13(14)5/h15H,6-9H2,1-5H3
InChIKeyUJMXSWMJEZEFIB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.08
Rot. Bonds5

About [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol

[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol (PubChem CID 141130168) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol
PubChem CID141130168
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol
SMILESCCCOCC1(CO)C(C)=C(C)C(C)=C1C
InChIInChI=1S/C14H24O2/c1-6-7-16-9-14(8-15)12(4)10(2)11(3)13(14)5/h15H,6-9H2,1-5H3
InChIKeyUJMXSWMJEZEFIB-UHFFFAOYSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol?
The IUPAC name of [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol (CID 141130168) is [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol.
What is the SMILES notation for [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol?
The canonical SMILES for [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol is CCCOCC1(CO)C(C)=C(C)C(C)=C1C.
What is the InChIKey of [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol?
The InChIKey is UJMXSWMJEZEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-7-16-9-14(8-15)12(4)10(2)11(3)13(14)5/h15H,6-9H2,1-5H3.
What are the key properties of [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol?
[2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol has a molecular weight of 224.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,4,5-tetramethyl-1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141130168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).