3-(1-methylcyclopropyl)butan-2-ol

C8H16O — CID 67990896

IUPAC3-(1-methylcyclopropyl)butan-2-ol
SMILESCC(O)C(C)C1(C)CC1
InChIInChI=1S/C8H16O/c1-6(7(2)9)8(3)4-5-8/h6-7,9H,4-5H2,1-3H3
InChIKeyAGRXSHLBDPRTQT-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.80
Rot. Bonds2

About 3-(1-methylcyclopropyl)butan-2-ol

3-(1-methylcyclopropyl)butan-2-ol (PubChem CID 67990896) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)butan-2-ol.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)butan-2-ol
PubChem CID67990896
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-(1-methylcyclopropyl)butan-2-ol
SMILESCC(O)C(C)C1(C)CC1
InChIInChI=1S/C8H16O/c1-6(7(2)9)8(3)4-5-8/h6-7,9H,4-5H2,1-3H3
InChIKeyAGRXSHLBDPRTQT-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-(1-methylcyclopropyl)butan-1-ol
CID 130646409
1-(3-hydroxybutan-2-yl)cycloheptane-1-carbaldehyde
CID 130646400
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
propan-2-ol;titanium
CID 25200171
1-(5,5-dimethylhexan-2-yl)-1-methylcyclopropane
CID 123583157
chloro-(1-methylcyclobutyl)methanol
CID 146531117
1-methyl-1-pentan-2-ylcyclopropane
CID 57204658
4-methyl-5-[1-(1-methylcyclopropyl)ethylamino]pentan-2-ol
CID 115722943
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
CID 129375020
1-methyl-1-[1-(methyldisulfanyl)ethyl]cyclopropane
CID 170111899
(1S,2R)-1-[(2S)-2-methyloxiran-2-yl]propane-1,2-diol
CID 130866295

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)butan-2-ol?
The IUPAC name of 3-(1-methylcyclopropyl)butan-2-ol (CID 67990896) is 3-(1-methylcyclopropyl)butan-2-ol.
What is the SMILES notation for 3-(1-methylcyclopropyl)butan-2-ol?
The canonical SMILES for 3-(1-methylcyclopropyl)butan-2-ol is CC(O)C(C)C1(C)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)butan-2-ol?
The InChIKey is AGRXSHLBDPRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-6(7(2)9)8(3)4-5-8/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 3-(1-methylcyclopropyl)butan-2-ol?
3-(1-methylcyclopropyl)butan-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)butan-2-ol is sourced from PubChem (CID 67990896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).