5-(3-methylcyclobutyl)oxypentan-1-ol

C10H20O2 — CID 134489229

IUPAC5-(3-methylcyclobutyl)oxypentan-1-ol
SMILESCC1CC(OCCCCCO)C1
InChIInChI=1S/C10H20O2/c1-9-7-10(8-9)12-6-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyCOSMNVPHEVHCSB-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds6

About 5-(3-methylcyclobutyl)oxypentan-1-ol

5-(3-methylcyclobutyl)oxypentan-1-ol (PubChem CID 134489229) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-(3-methylcyclobutyl)oxypentan-1-ol.

Molecular Properties

Compound Name5-(3-methylcyclobutyl)oxypentan-1-ol
PubChem CID134489229
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-(3-methylcyclobutyl)oxypentan-1-ol
SMILESCC1CC(OCCCCCO)C1
InChIInChI=1S/C10H20O2/c1-9-7-10(8-9)12-6-4-2-3-5-11/h9-11H,2-8H2,1H3
InChIKeyCOSMNVPHEVHCSB-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
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 5-(3-methylcyclobutyl)oxypentan-1-ol?
The IUPAC name of 5-(3-methylcyclobutyl)oxypentan-1-ol (CID 134489229) is 5-(3-methylcyclobutyl)oxypentan-1-ol.
What is the SMILES notation for 5-(3-methylcyclobutyl)oxypentan-1-ol?
The canonical SMILES for 5-(3-methylcyclobutyl)oxypentan-1-ol is CC1CC(OCCCCCO)C1.
What is the InChIKey of 5-(3-methylcyclobutyl)oxypentan-1-ol?
The InChIKey is COSMNVPHEVHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9-7-10(8-9)12-6-4-2-3-5-11/h9-11H,2-8H2,1H3.
What are the key properties of 5-(3-methylcyclobutyl)oxypentan-1-ol?
5-(3-methylcyclobutyl)oxypentan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclobutyl)oxypentan-1-ol is sourced from PubChem (CID 134489229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).