5-chloro-1-methoxy-2,3,3-trimethylhexane

C10H21ClO — CID 64717465

IUPAC5-chloro-1-methoxy-2,3,3-trimethylhexane
SMILESCOCC(C)C(C)(C)CC(C)Cl
InChIInChI=1S/C10H21ClO/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9H,6-7H2,1-5H3
InChIKeyLMPNMWBFUNIWCP-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-1-methoxy-2,3,3-trimethylhexane

5-chloro-1-methoxy-2,3,3-trimethylhexane (PubChem CID 64717465) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 5-chloro-1-methoxy-2,3,3-trimethylhexane.

Molecular Properties

Compound Name5-chloro-1-methoxy-2,3,3-trimethylhexane
PubChem CID64717465
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name5-chloro-1-methoxy-2,3,3-trimethylhexane
SMILESCOCC(C)C(C)(C)CC(C)Cl
InChIInChI=1S/C10H21ClO/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9H,6-7H2,1-5H3
InChIKeyLMPNMWBFUNIWCP-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.73
LogP ≤ 53.31
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

6-methoxy-4,4,5-trimethylhexan-2-ol
CID 64715140
(2R)-2-chloro-1-methoxypropane
CID 94475219
1,3,3-trimethoxy-2-methylbutane
CID 140983867
(4R)-2,2,4-trichloropentane
CID 642175
4-methoxy-2,2,3-trimethylbutanoic acid
CID 79426196
2-ethyl-4-methoxy-2,3-dimethylbutanoic acid
CID 79426238
1,3-dimethoxypropane;2,3,3,5-tetramethylhexane
CID 175249202
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
(2R)-1-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxy]propane
CID 90381386
5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
CID 138482304
1-methoxy-2-(methoxymethyl)-3,3-dimethylhexane
CID 175461181
1-methoxy-3,3,4,5-tetramethylhexane
CID 123458984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methoxy-2,3,3-trimethylhexane?
The IUPAC name of 5-chloro-1-methoxy-2,3,3-trimethylhexane (CID 64717465) is 5-chloro-1-methoxy-2,3,3-trimethylhexane.
What is the SMILES notation for 5-chloro-1-methoxy-2,3,3-trimethylhexane?
The canonical SMILES for 5-chloro-1-methoxy-2,3,3-trimethylhexane is COCC(C)C(C)(C)CC(C)Cl.
What is the InChIKey of 5-chloro-1-methoxy-2,3,3-trimethylhexane?
The InChIKey is LMPNMWBFUNIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-8(7-12-5)10(3,4)6-9(2)11/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-chloro-1-methoxy-2,3,3-trimethylhexane?
5-chloro-1-methoxy-2,3,3-trimethylhexane has a molecular weight of 192.73 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methoxy-2,3,3-trimethylhexane is sourced from PubChem (CID 64717465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).