1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol

C12H19ClO — CID 163615364

IUPAC1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol
SMILESCC1([C@H]2CC[C@@]2(Cl)CC2(O)CC2)CC1
InChIInChI=1S/C12H19ClO/c1-10(4-5-10)9-2-3-12(9,13)8-11(14)6-7-11/h9,14H,2-8H2,1H3/t9-,12-/m1/s1
InChIKeyHJMYIBILBVJSOT-BXKDBHETSA-N
MW214.74 g/mol
LogP3.09
Rot. Bonds3

About 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol

1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol (PubChem CID 163615364) has the molecular formula C12H19ClO and a molecular weight of 214.74 g/mol. Its IUPAC name is 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol
PubChem CID163615364
Molecular FormulaC12H19ClO
Molecular Weight214.74 g/mol
Exact Mass214.11
IUPAC Name1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol
SMILESCC1([C@H]2CC[C@@]2(Cl)CC2(O)CC2)CC1
InChIInChI=1S/C12H19ClO/c1-10(4-5-10)9-2-3-12(9,13)8-11(14)6-7-11/h9,14H,2-8H2,1H3/t9-,12-/m1/s1
InChIKeyHJMYIBILBVJSOT-BXKDBHETSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol (CID 163615364) is 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol is CC1([C@H]2CC[C@@]2(Cl)CC2(O)CC2)CC1.
What is the InChIKey of 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol?
The InChIKey is HJMYIBILBVJSOT-BXKDBHETSA-N. The full InChI is InChI=1S/C12H19ClO/c1-10(4-5-10)9-2-3-12(9,13)8-11(14)6-7-11/h9,14H,2-8H2,1H3/t9-,12-/m1/s1.
What are the key properties of 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol?
1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol has a molecular weight of 214.74 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R)-1-chloro-2-(1-methylcyclopropyl)cyclobutyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 163615364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).