(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol

C9H18O — CID 10464426

IUPAC(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol
SMILESCCC[C@H]1C[C@@H]1[C@@H](O)CC
InChIInChI=1S/C9H18O/c1-3-5-7-6-8(7)9(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyAHJXKPSZVJNWJK-CIUDSAMLSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds4

About (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol

(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol (PubChem CID 10464426) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol
PubChem CID10464426
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol
SMILESCCC[C@H]1C[C@@H]1[C@@H](O)CC
InChIInChI=1S/C9H18O/c1-3-5-7-6-8(7)9(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyAHJXKPSZVJNWJK-CIUDSAMLSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
1-Cyclohexylethanol
CID 137829
2,6,8-Trimethyl-4-nonanol
CID 61056
4-Methyl-3-heptanol
CID 26989
2-Propyl-1-heptanol
CID 24847
2-Propylcyclohexan-1-ol
CID 138614
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
4-Ethylcyclohexanol
CID 78293
3-Methyl-2-heptanol
CID 35784

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol?
The IUPAC name of (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol (CID 10464426) is (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol is CCC[C@H]1C[C@@H]1[C@@H](O)CC.
What is the InChIKey of (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol?
The InChIKey is AHJXKPSZVJNWJK-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-7-6-8(7)9(10)4-2/h7-10H,3-6H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol?
(1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-propylcyclopropyl]propan-1-ol is sourced from PubChem (CID 10464426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).