2-methyl-1-pentan-3-ylcyclopropan-1-ol

C9H18O — CID 79332194

IUPAC2-methyl-1-pentan-3-ylcyclopropan-1-ol
SMILESCCC(CC)C1(O)CC1C
InChIInChI=1S/C9H18O/c1-4-8(5-2)9(10)6-7(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyILAZBWKAUAVZOB-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-1-pentan-3-ylcyclopropan-1-ol

2-methyl-1-pentan-3-ylcyclopropan-1-ol (PubChem CID 79332194) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-1-pentan-3-ylcyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-pentan-3-ylcyclopropan-1-ol
PubChem CID79332194
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-1-pentan-3-ylcyclopropan-1-ol
SMILESCCC(CC)C1(O)CC1C
InChIInChI=1S/C9H18O/c1-4-8(5-2)9(10)6-7(9)3/h7-8,10H,4-6H2,1-3H3
InChIKeyILAZBWKAUAVZOB-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentan-3-ylcyclopropan-1-ol?
The IUPAC name of 2-methyl-1-pentan-3-ylcyclopropan-1-ol (CID 79332194) is 2-methyl-1-pentan-3-ylcyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-pentan-3-ylcyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-pentan-3-ylcyclopropan-1-ol is CCC(CC)C1(O)CC1C.
What is the InChIKey of 2-methyl-1-pentan-3-ylcyclopropan-1-ol?
The InChIKey is ILAZBWKAUAVZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-8(5-2)9(10)6-7(9)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-pentan-3-ylcyclopropan-1-ol?
2-methyl-1-pentan-3-ylcyclopropan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentan-3-ylcyclopropan-1-ol is sourced from PubChem (CID 79332194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).