1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol

C14H28O2 — CID 21361752

IUPAC1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCOC)C1
InChIInChI=1S/C14H28O2/c1-4-11-9-12(5-2)13(10-11)14(15)7-6-8-16-3/h11-15H,4-10H2,1-3H3
InChIKeyPCEKZVFJJMDIFJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.24
Rot. Bonds7

About 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol

1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol (PubChem CID 21361752) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol.

Molecular Properties

Compound Name1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol
PubChem CID21361752
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol
SMILESCCC1CC(CC)C(C(O)CCCOC)C1
InChIInChI=1S/C14H28O2/c1-4-11-9-12(5-2)13(10-11)14(15)7-6-8-16-3/h11-15H,4-10H2,1-3H3
InChIKeyPCEKZVFJJMDIFJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.24
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 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol?
The IUPAC name of 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol (CID 21361752) is 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol.
What is the SMILES notation for 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol?
The canonical SMILES for 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol is CCC1CC(CC)C(C(O)CCCOC)C1.
What is the InChIKey of 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol?
The InChIKey is PCEKZVFJJMDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-11-9-12(5-2)13(10-11)14(15)7-6-8-16-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol?
1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethylcyclopentyl)-4-methoxybutan-1-ol is sourced from PubChem (CID 21361752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).