trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane

C9H17OP — CID 88942450

IUPACtrans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CCCC[C@H]1P=O
InChIInChI=1S/C9H17OP/c1-7(2)8-5-3-4-6-9(8)11-10/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyBZONJCMKUIMPTF-DTWKUNHWSA-N
MW172.21 g/mol
LogP3.49
Rot. Bonds2

About trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane

trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane (PubChem CID 88942450) has the molecular formula C9H17OP and a molecular weight of 172.21 g/mol. Its IUPAC name is trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane
PubChem CID88942450
Molecular FormulaC9H17OP
Molecular Weight172.21 g/mol
Exact Mass172.10
IUPAC Nametrans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CCCC[C@H]1P=O
InChIInChI=1S/C9H17OP/c1-7(2)8-5-3-4-6-9(8)11-10/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyBZONJCMKUIMPTF-DTWKUNHWSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
trans-(1R,2S)-2-propan-2-yl-N-[(1S,2S)-2-propan-2-ylcyclohexyl]cyclohexan-1-amine
CID 124709501
1-tert-butyl-2-propan-2-ylcyclohexane
CID 59820112
trans-(1R,2S)-2-propan-2-ylcyclohexan-1-amine;hydrochloride
CID 169426294
formamide;1-methyl-2-propan-2-ylcyclohexane
CID 174972223
N-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 142212218
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
N-[(1R,2R)-2-propan-2-ylcyclohexyl]formamide
CID 88958031
1-(2-propan-2-ylcyclopentyl)ethylcyclohexane
CID 142386797
[(1R,2S)-2-propan-2-ylcyclohexyl]methanamine
CID 166498577
N,2-di(propan-2-yl)cycloheptan-1-amine
CID 164647627

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane?
The IUPAC name of trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane (CID 88942450) is trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane.
What is the SMILES notation for trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane?
The canonical SMILES for trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane is CC(C)[C@@H]1CCCC[C@H]1P=O.
What is the InChIKey of trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane?
The InChIKey is BZONJCMKUIMPTF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17OP/c1-7(2)8-5-3-4-6-9(8)11-10/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane?
trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane has a molecular weight of 172.21 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-phosphoroso-2-propan-2-ylcyclohexane is sourced from PubChem (CID 88942450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).