cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol

C9H18O2 — CID 130905140

IUPACcis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[C@H](O)C[C@@H]1C[C@]1(C)O
InChIInChI=1S/C9H18O2/c1-6(2)8(10)4-7-5-9(7,3)11/h6-8,10-11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyMIMCQOBINLHBLZ-HLTSFMKQSA-N
MW158.24 g/mol
LogP1.16
Rot. Bonds3

About cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol

cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol (PubChem CID 130905140) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol
PubChem CID130905140
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namecis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol
SMILESCC(C)[C@H](O)C[C@@H]1C[C@]1(C)O
InChIInChI=1S/C9H18O2/c1-6(2)8(10)4-7-5-9(7,3)11/h6-8,10-11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1
InChIKeyMIMCQOBINLHBLZ-HLTSFMKQSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol (CID 130905140) is cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol is CC(C)[C@H](O)C[C@@H]1C[C@]1(C)O.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol?
The InChIKey is MIMCQOBINLHBLZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H18O2/c1-6(2)8(10)4-7-5-9(7,3)11/h6-8,10-11H,4-5H2,1-3H3/t7-,8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol?
cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol has a molecular weight of 158.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-2-hydroxy-3-methylbutyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 130905140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).