cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol

C9H18O — CID 102123315

IUPACcis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol
SMILESCCCCC[C@H]1C[C@@]1(C)O
InChIInChI=1S/C9H18O/c1-3-4-5-6-8-7-9(8,2)10/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyVOJOFJNYLWNILS-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.34
Rot. Bonds4

About cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol

cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol (PubChem CID 102123315) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol
PubChem CID102123315
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namecis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol
SMILESCCCCC[C@H]1C[C@@]1(C)O
InChIInChI=1S/C9H18O/c1-3-4-5-6-8-7-9(8,2)10/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1
InChIKeyVOJOFJNYLWNILS-DTWKUNHWSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol?
The IUPAC name of cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol (CID 102123315) is cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol?
The canonical SMILES for cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol is CCCCC[C@H]1C[C@@]1(C)O.
What is the InChIKey of cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol?
The InChIKey is VOJOFJNYLWNILS-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-3-4-5-6-8-7-9(8,2)10/h8,10H,3-7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol?
cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-methyl-2-pentylcyclopropan-1-ol is sourced from PubChem (CID 102123315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).