1-butylcyclopropan-1-ol

C7H14O — CID 13046623

IUPAC1-butylcyclopropan-1-ol
SMILESCCCCC1(O)CC1
InChIInChI=1S/C7H14O/c1-2-3-4-7(8)5-6-7/h8H,2-6H2,1H3
InChIKeyODGMSFYULMJQFQ-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.70
Rot. Bonds3

About 1-butylcyclopropan-1-ol

1-butylcyclopropan-1-ol (PubChem CID 13046623) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-butylcyclopropan-1-ol.

Molecular Properties

Compound Name1-butylcyclopropan-1-ol
PubChem CID13046623
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-butylcyclopropan-1-ol
SMILESCCCCC1(O)CC1
InChIInChI=1S/C7H14O/c1-2-3-4-7(8)5-6-7/h8H,2-6H2,1H3
InChIKeyODGMSFYULMJQFQ-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylhexan-2-ol
CID 12240
1-Propylcyclopropanol
CID 13046622
2-Ethyl-1-methylcyclopropan-1-ol
CID 14453684
1,2-Diethylcyclopropan-1-ol
CID 14453685
2-Methyl-1-propylcyclopropan-1-ol
CID 15516956
1-Ethyl-2-methylcyclo-propanol
CID 54236977
trans-(1R,2R)-2-methyl-1-propylcyclopropan-1-ol
CID 16655900
cis-(1R,2S)-2-methyl-1-propylcyclopropan-1-ol
CID 16655901
trans-(1R,2R)-1-methyl-2-propylcyclopropan-1-ol
CID 101836821
(1R)-2-methyl-1-propylcyclopropan-1-ol
CID 102079099
cis-(1R,2S)-1-methyl-2-propylcyclopropan-1-ol
CID 135056895
1-(4-Fluorobutyl)cyclopropan-1-ol
CID 165615445

Frequently Asked Questions

What is the IUPAC name of 1-butylcyclopropan-1-ol?
The IUPAC name of 1-butylcyclopropan-1-ol (CID 13046623) is 1-butylcyclopropan-1-ol.
What is the SMILES notation for 1-butylcyclopropan-1-ol?
The canonical SMILES for 1-butylcyclopropan-1-ol is CCCCC1(O)CC1.
What is the InChIKey of 1-butylcyclopropan-1-ol?
The InChIKey is ODGMSFYULMJQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-2-3-4-7(8)5-6-7/h8H,2-6H2,1H3.
What are the key properties of 1-butylcyclopropan-1-ol?
1-butylcyclopropan-1-ol has a molecular weight of 114.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylcyclopropan-1-ol is sourced from PubChem (CID 13046623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).