5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane

C15H31ClO — CID 175625445

IUPAC5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane
SMILESCCC(C)C(C)(C)OCC(C)(C)CCC(C)Cl
InChIInChI=1S/C15H31ClO/c1-8-12(2)15(6,7)17-11-14(4,5)10-9-13(3)16/h12-13H,8-11H2,1-7H3
InChIKeyFUYYEBMSGDYSSN-UHFFFAOYSA-N
MW262.86 g/mol
LogP5.26
Rot. Bonds8

About 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane

5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane (PubChem CID 175625445) has the molecular formula C15H31ClO and a molecular weight of 262.86 g/mol. Its IUPAC name is 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane.

Molecular Properties

Compound Name5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane
PubChem CID175625445
Molecular FormulaC15H31ClO
Molecular Weight262.86 g/mol
Exact Mass262.21
IUPAC Name5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane
SMILESCCC(C)C(C)(C)OCC(C)(C)CCC(C)Cl
InChIInChI=1S/C15H31ClO/c1-8-12(2)15(6,7)17-11-14(4,5)10-9-13(3)16/h12-13H,8-11H2,1-7H3
InChIKeyFUYYEBMSGDYSSN-UHFFFAOYSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.86
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-2,4,4-trimethyl-2-propoxyoctane
CID 175624784
1-(2,3-dimethylpentan-2-yloxy)propan-2-ol
CID 142712435
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
2,6-dichloro-2,3,3-trimethylheptane
CID 89224094
2,3-dimethylpentan-2-yloxyboronic acid
CID 54520879
3-ethoxy-3-ethyl-4-methylhexane
CID 172859093
2-(2,3-dimethylpentan-2-yloxy)-4,4-diethyl-3,5-dimethylheptane
CID 91095742
2,5,5,6-tetramethyloctane
CID 53424276
7-chloro-2,2-dimethyloctane
CID 64515628
1-(2,3-dimethylpentan-2-yloxy)-2,2,4-trimethylpentan-1-ol
CID 123209317
2-chlorobutane;silane
CID 174414093
8-ethyl-2,2,5,5-tetramethyldecane
CID 91134547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane?
The IUPAC name of 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane (CID 175625445) is 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane.
What is the SMILES notation for 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane?
The canonical SMILES for 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane is CCC(C)C(C)(C)OCC(C)(C)CCC(C)Cl.
What is the InChIKey of 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane?
The InChIKey is FUYYEBMSGDYSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO/c1-8-12(2)15(6,7)17-11-14(4,5)10-9-13(3)16/h12-13H,8-11H2,1-7H3.
What are the key properties of 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane?
5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane has a molecular weight of 262.86 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,3-dimethylpentan-2-yloxy)-2,2-dimethylhexane is sourced from PubChem (CID 175625445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).