azane;3-chloro-3-ethylpentan-2-ol

C7H18ClNO — CID 88674101

IUPACazane;3-chloro-3-ethylpentan-2-ol
SMILESCCC(Cl)(CC)C(C)O.N
InChIInChI=1S/C7H15ClO.H3N/c1-4-7(8,5-2)6(3)9;/h6,9H,4-5H2,1-3H3;1H3
InChIKeyIZRXPZNPNITVCG-UHFFFAOYSA-N
MW167.68 g/mol
LogP2.33
Rot. Bonds3

About azane;3-chloro-3-ethylpentan-2-ol

azane;3-chloro-3-ethylpentan-2-ol (PubChem CID 88674101) has the molecular formula C7H18ClNO and a molecular weight of 167.68 g/mol. Its IUPAC name is azane;3-chloro-3-ethylpentan-2-ol.

Molecular Properties

Compound Nameazane;3-chloro-3-ethylpentan-2-ol
PubChem CID88674101
Molecular FormulaC7H18ClNO
Molecular Weight167.68 g/mol
Exact Mass167.11
IUPAC Nameazane;3-chloro-3-ethylpentan-2-ol
SMILESCCC(Cl)(CC)C(C)O.N
InChIInChI=1S/C7H15ClO.H3N/c1-4-7(8,5-2)6(3)9;/h6,9H,4-5H2,1-3H3;1H3
InChIKeyIZRXPZNPNITVCG-UHFFFAOYSA-N
XLogP2.33
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-3-ethyl-2-methylheptane
CID 151352184
3-amino-3-methylpentan-2-ol
CID 159077240
2,2-dimethylbutane;3,3-dimethylbutan-2-ol;2,2,3-trimethylbutane
CID 158901240
methanol;1,1,1-trichloropropane
CID 160733692
3-chloro-3-ethylheptan-4-amine
CID 174496407
3,4,4-trimethylhexane-2,3-diol
CID 67159588
2-chloro-2-methylbutane;methanol
CID 88619841
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
butane;4-chloro-4-methylpentan-2-ol
CID 173456438
3-chloro-3-methylpentadecan-2-ol
CID 87770465
azane;(4-chloro-4-ethylhexan-3-yl) 2-methylprop-2-enoate
CID 87147317
tris(propane-1,1,1-triol);bis(propane-1,2,3-triol)
CID 173016399

Frequently Asked Questions

What is the IUPAC name of azane;3-chloro-3-ethylpentan-2-ol?
The IUPAC name of azane;3-chloro-3-ethylpentan-2-ol (CID 88674101) is azane;3-chloro-3-ethylpentan-2-ol.
What is the SMILES notation for azane;3-chloro-3-ethylpentan-2-ol?
The canonical SMILES for azane;3-chloro-3-ethylpentan-2-ol is CCC(Cl)(CC)C(C)O.N.
What is the InChIKey of azane;3-chloro-3-ethylpentan-2-ol?
The InChIKey is IZRXPZNPNITVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClO.H3N/c1-4-7(8,5-2)6(3)9;/h6,9H,4-5H2,1-3H3;1H3.
What are the key properties of azane;3-chloro-3-ethylpentan-2-ol?
azane;3-chloro-3-ethylpentan-2-ol has a molecular weight of 167.68 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chloro-3-ethylpentan-2-ol is sourced from PubChem (CID 88674101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).