4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol

C9H18O2 — CID 106798109

IUPAC4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol
SMILESCC(O)CCC1(C(C)O)CC1
InChIInChI=1S/C9H18O2/c1-7(10)3-4-9(5-6-9)8(2)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyHXDZLTBFTBKUJO-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.31
Rot. Bonds4

About 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol

4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol (PubChem CID 106798109) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol.

Molecular Properties

Compound Name4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol
PubChem CID106798109
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol
SMILESCC(O)CCC1(C(C)O)CC1
InChIInChI=1S/C9H18O2/c1-7(10)3-4-9(5-6-9)8(2)11/h7-8,10-11H,3-6H2,1-2H3
InChIKeyHXDZLTBFTBKUJO-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylbutyl)cyclopropyl]ethanol
CID 106798094
1-(1-hexylcyclopropyl)ethanol
CID 106798180
4-(1-ethylcyclobutyl)butan-2-ol
CID 130601505
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
CID 106798292
1-[1-(aminomethyl)-4,4-dimethylcyclohexyl]ethanol
CID 79138945
ethane;hexane-2,5-diol
CID 143963822
1-[1-(3-phenoxypropyl)cyclopropyl]ethanol
CID 106798155
1-[1-(3-chloro-2-methylprop-2-enyl)cyclopropyl]ethanol
CID 106439789
4-[2-(4-hydroxybutyl)-1,3-dithian-2-yl]butan-2-ol
CID 593950
4-[(4,4-dimethylcyclohexyl)amino]butan-2-ol
CID 64913852
1-[1-[(4-methylphenyl)methyl]cyclopropyl]ethanol
CID 106798205
1-[1-[(4-tert-butylphenyl)methyl]cyclopropyl]ethanol
CID 106798247

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol?
The IUPAC name of 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol (CID 106798109) is 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol.
What is the SMILES notation for 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol?
The canonical SMILES for 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol is CC(O)CCC1(C(C)O)CC1.
What is the InChIKey of 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol?
The InChIKey is HXDZLTBFTBKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(10)3-4-9(5-6-9)8(2)11/h7-8,10-11H,3-6H2,1-2H3.
What are the key properties of 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol?
4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol has a molecular weight of 158.24 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxyethyl)cyclopropyl]butan-2-ol is sourced from PubChem (CID 106798109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).