2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol

C10H18O — CID 67125691

IUPAC2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol
SMILESCC(C)=CCC1(CCO)CC1
InChIInChI=1S/C10H18O/c1-9(2)3-4-10(5-6-10)7-8-11/h3,11H,4-8H2,1-2H3
InChIKeyBOJQOHPSRDLLCY-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol

2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol (PubChem CID 67125691) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol
PubChem CID67125691
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol
SMILESCC(C)=CCC1(CCO)CC1
InChIInChI=1S/C10H18O/c1-9(2)3-4-10(5-6-10)7-8-11/h3,11H,4-8H2,1-2H3
InChIKeyBOJQOHPSRDLLCY-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol?
The IUPAC name of 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol (CID 67125691) is 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol?
The canonical SMILES for 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol is CC(C)=CCC1(CCO)CC1.
What is the InChIKey of 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol?
The InChIKey is BOJQOHPSRDLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)3-4-10(5-6-10)7-8-11/h3,11H,4-8H2,1-2H3.
What are the key properties of 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol?
2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbut-2-enyl)cyclopropyl]ethanol is sourced from PubChem (CID 67125691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).