1-chloro-2-methylpropan-2-ol;vanadium

C4H9ClOV — CID 158704639

IUPAC1-chloro-2-methylpropan-2-ol;vanadium
SMILESCC(C)(O)CCl.[V]
InChIInChI=1S/C4H9ClO.V/c1-4(2,6)3-5;/h6H,3H2,1-2H3;
InChIKeyIHYSBWOHFYCPBV-UHFFFAOYSA-N
MW159.51 g/mol
LogP0.99
Rot. Bonds1

About 1-chloro-2-methylpropan-2-ol;vanadium

1-chloro-2-methylpropan-2-ol;vanadium (PubChem CID 158704639) has the molecular formula C4H9ClOV and a molecular weight of 159.51 g/mol. Its IUPAC name is 1-chloro-2-methylpropan-2-ol;vanadium.

Molecular Properties

Compound Name1-chloro-2-methylpropan-2-ol;vanadium
PubChem CID158704639
Molecular FormulaC4H9ClOV
Molecular Weight159.51 g/mol
Exact Mass158.98
IUPAC Name1-chloro-2-methylpropan-2-ol;vanadium
SMILESCC(C)(O)CCl.[V]
InChIInChI=1S/C4H9ClO.V/c1-4(2,6)3-5;/h6H,3H2,1-2H3;
InChIKeyIHYSBWOHFYCPBV-UHFFFAOYSA-N
XLogP0.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.51
LogP ≤ 50.99
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

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1-chloro-2,2-dimethylpropane;zinc
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1,1,2-trichloroethanol
CID 14671512
1,1,2-trichloroethanol
CID 176909401
1,3-dichloro-2-methylbutan-2-ol
CID 55302434
6-chloro-2,4,4-trimethylhexan-2-ol
CID 88929339
alumane;2,4-dimethylpentane-2,4-diol
CID 175404238
1-chloro-2,2-dimethylpropane;iodomethane
CID 87343614
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
2,2,3,3-tetramethylbutane;vanadium
CID 158970328

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylpropan-2-ol;vanadium?
The IUPAC name of 1-chloro-2-methylpropan-2-ol;vanadium (CID 158704639) is 1-chloro-2-methylpropan-2-ol;vanadium.
What is the SMILES notation for 1-chloro-2-methylpropan-2-ol;vanadium?
The canonical SMILES for 1-chloro-2-methylpropan-2-ol;vanadium is CC(C)(O)CCl.[V].
What is the InChIKey of 1-chloro-2-methylpropan-2-ol;vanadium?
The InChIKey is IHYSBWOHFYCPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO.V/c1-4(2,6)3-5;/h6H,3H2,1-2H3;.
What are the key properties of 1-chloro-2-methylpropan-2-ol;vanadium?
1-chloro-2-methylpropan-2-ol;vanadium has a molecular weight of 159.51 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylpropan-2-ol;vanadium is sourced from PubChem (CID 158704639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).