1-(3-methylbutyl)-2-propylcyclopropan-1-ol

C11H22O — CID 79332942

IUPAC1-(3-methylbutyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)CCC(C)C
InChIInChI=1S/C11H22O/c1-4-5-10-8-11(10,12)7-6-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeySLSVRHVUOOXSJC-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-methylbutyl)-2-propylcyclopropan-1-ol

1-(3-methylbutyl)-2-propylcyclopropan-1-ol (PubChem CID 79332942) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(3-methylbutyl)-2-propylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(3-methylbutyl)-2-propylcyclopropan-1-ol
PubChem CID79332942
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(3-methylbutyl)-2-propylcyclopropan-1-ol
SMILESCCCC1CC1(O)CCC(C)C
InChIInChI=1S/C11H22O/c1-4-5-10-8-11(10,12)7-6-9(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeySLSVRHVUOOXSJC-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-2-propylcyclopropan-1-ol?
The IUPAC name of 1-(3-methylbutyl)-2-propylcyclopropan-1-ol (CID 79332942) is 1-(3-methylbutyl)-2-propylcyclopropan-1-ol.
What is the SMILES notation for 1-(3-methylbutyl)-2-propylcyclopropan-1-ol?
The canonical SMILES for 1-(3-methylbutyl)-2-propylcyclopropan-1-ol is CCCC1CC1(O)CCC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-2-propylcyclopropan-1-ol?
The InChIKey is SLSVRHVUOOXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-5-10-8-11(10,12)7-6-9(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-2-propylcyclopropan-1-ol?
1-(3-methylbutyl)-2-propylcyclopropan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-2-propylcyclopropan-1-ol is sourced from PubChem (CID 79332942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).