3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol

C14H28O2 — CID 70870530

IUPAC3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol
SMILESCCCCC1CC(CC)C(O)(OC)C1CC
InChIInChI=1S/C14H28O2/c1-5-8-9-11-10-12(6-2)14(15,16-4)13(11)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyDNYUEKJOPLZTRB-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.58
Rot. Bonds6

About 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol

3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol (PubChem CID 70870530) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol.

Molecular Properties

Compound Name3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol
PubChem CID70870530
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol
SMILESCCCCC1CC(CC)C(O)(OC)C1CC
InChIInChI=1S/C14H28O2/c1-5-8-9-11-10-12(6-2)14(15,16-4)13(11)7-3/h11-13,15H,5-10H2,1-4H3
InChIKeyDNYUEKJOPLZTRB-UHFFFAOYSA-N
XLogP3.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol?
The IUPAC name of 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol (CID 70870530) is 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol.
What is the SMILES notation for 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol?
The canonical SMILES for 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol is CCCCC1CC(CC)C(O)(OC)C1CC.
What is the InChIKey of 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol?
The InChIKey is DNYUEKJOPLZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-8-9-11-10-12(6-2)14(15,16-4)13(11)7-3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol?
3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2,5-diethyl-1-methoxycyclopentan-1-ol is sourced from PubChem (CID 70870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).