trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol

C6H11ClO — CID 129391118

IUPACtrans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol
SMILESO[C@@H]1C[C@@H]1CCCCl
InChIInChI=1S/C6H11ClO/c7-3-1-2-5-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyLWDSJSSAQHMGHA-NTSWFWBYSA-N
MW134.61 g/mol
LogP1.39
Rot. Bonds3

About trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol

trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol (PubChem CID 129391118) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol
PubChem CID129391118
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Nametrans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol
SMILESO[C@@H]1C[C@@H]1CCCCl
InChIInChI=1S/C6H11ClO/c7-3-1-2-5-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyLWDSJSSAQHMGHA-NTSWFWBYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
2-(5-bromopent-4-enyl)cyclopropan-1-ol
CID 123911328
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
2-(fluoromethyl)cyclopropan-1-ol
CID 84715966
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
[(1R,2S)-2-(4-chlorobutyl)cyclopropyl]-thiophen-2-ylmethanol
CID 121002106
(3R)-4-hexylcyclohexane-1,3-diol
CID 90224141
[2,2-dibromo-3-(3-chloropropyl)cyclopropyl]methanol
CID 70480900
2-[(1S,3R)-2,2-dibromo-3-(3-chloropropyl)cyclopropyl]ethanol
CID 70480385
2-hex-3-enylcyclopropan-1-ol
CID 123588538
tert-butyl 2-(4-chlorobutyl)cyclopropane-1-carboxylate
CID 139889580

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol (CID 129391118) is trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol is O[C@@H]1C[C@@H]1CCCCl.
What is the InChIKey of trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol?
The InChIKey is LWDSJSSAQHMGHA-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11ClO/c7-3-1-2-5-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol?
trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol has a molecular weight of 134.61 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(3-chloropropyl)cyclopropan-1-ol is sourced from PubChem (CID 129391118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).