4-(3,3-dimethylcyclobutyl)oxybutan-1-ol

C10H20O2 — CID 58375966

IUPAC4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
SMILESCC1(C)CC(OCCCCO)C1
InChIInChI=1S/C10H20O2/c1-10(2)7-9(8-10)12-6-4-3-5-11/h9,11H,3-8H2,1-2H3
InChIKeyLPMREEKBSOHLBQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds5

About 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol

4-(3,3-dimethylcyclobutyl)oxybutan-1-ol (PubChem CID 58375966) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
PubChem CID58375966
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-(3,3-dimethylcyclobutyl)oxybutan-1-ol
SMILESCC1(C)CC(OCCCCO)C1
InChIInChI=1S/C10H20O2/c1-10(2)7-9(8-10)12-6-4-3-5-11/h9,11H,3-8H2,1-2H3
InChIKeyLPMREEKBSOHLBQ-UHFFFAOYSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol?
The IUPAC name of 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol (CID 58375966) is 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol.
What is the SMILES notation for 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol?
The canonical SMILES for 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol is CC1(C)CC(OCCCCO)C1.
What is the InChIKey of 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol?
The InChIKey is LPMREEKBSOHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2)7-9(8-10)12-6-4-3-5-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol?
4-(3,3-dimethylcyclobutyl)oxybutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylcyclobutyl)oxybutan-1-ol is sourced from PubChem (CID 58375966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).