1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol

C6H16ClOP — CID 153328374

IUPAC1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol
SMILESCC(O)CP(C)(C)(C)Cl
InChIInChI=1S/C6H16ClOP/c1-6(8)5-9(2,3,4)7/h6,8H,5H2,1-4H3
InChIKeyRKLUADZQGJJEDX-UHFFFAOYSA-N
MW170.62 g/mol
LogP1.96
Rot. Bonds2

About 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol

1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol (PubChem CID 153328374) has the molecular formula C6H16ClOP and a molecular weight of 170.62 g/mol. Its IUPAC name is 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol.

Molecular Properties

Compound Name1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol
PubChem CID153328374
Molecular FormulaC6H16ClOP
Molecular Weight170.62 g/mol
Exact Mass170.06
IUPAC Name1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol
SMILESCC(O)CP(C)(C)(C)Cl
InChIInChI=1S/C6H16ClOP/c1-6(8)5-9(2,3,4)7/h6,8H,5H2,1-4H3
InChIKeyRKLUADZQGJJEDX-UHFFFAOYSA-N
XLogP1.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 58185744
CID 58185744
nitroxyl;propane-1,2-diol
CID 175455323
chloroform;propane-1,2-diol
CID 159626759
oxotitanium;bis(pentane-2,4-diol)
CID 166004724
propane-1,2-diol
CID 23506506
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
bis(butan-2-ol);carbanide;oxovanadium
CID 536550
hydroxylamine;propan-2-ol
CID 22024851
beryllium;hydride;propan-2-ol
CID 175546998
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
CID 160650971
CID 160650971
1-bromopropan-2-ol
CID 29740

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol?
The IUPAC name of 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol (CID 153328374) is 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol.
What is the SMILES notation for 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol?
The canonical SMILES for 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol is CC(O)CP(C)(C)(C)Cl.
What is the InChIKey of 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol?
The InChIKey is RKLUADZQGJJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16ClOP/c1-6(8)5-9(2,3,4)7/h6,8H,5H2,1-4H3.
What are the key properties of 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol?
1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol has a molecular weight of 170.62 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(trimethyl)-λ5-phosphanyl]propan-2-ol is sourced from PubChem (CID 153328374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).