1-chloro-5-methoxy-2,6-dimethylheptane

C10H21ClO — CID 21399083

IUPAC1-chloro-5-methoxy-2,6-dimethylheptane
SMILESCOC(CCC(C)CCl)C(C)C
InChIInChI=1S/C10H21ClO/c1-8(2)10(12-4)6-5-9(3)7-11/h8-10H,5-7H2,1-4H3
InChIKeyXNBYZTVQVHSWMB-UHFFFAOYSA-N
MW192.73 g/mol
LogP3.31
Rot. Bonds6

About 1-chloro-5-methoxy-2,6-dimethylheptane

1-chloro-5-methoxy-2,6-dimethylheptane (PubChem CID 21399083) has the molecular formula C10H21ClO and a molecular weight of 192.73 g/mol. Its IUPAC name is 1-chloro-5-methoxy-2,6-dimethylheptane.

Molecular Properties

Compound Name1-chloro-5-methoxy-2,6-dimethylheptane
PubChem CID21399083
Molecular FormulaC10H21ClO
Molecular Weight192.73 g/mol
Exact Mass192.13
IUPAC Name1-chloro-5-methoxy-2,6-dimethylheptane
SMILESCOC(CCC(C)CCl)C(C)C
InChIInChI=1S/C10H21ClO/c1-8(2)10(12-4)6-5-9(3)7-11/h8-10H,5-7H2,1-4H3
InChIKeyXNBYZTVQVHSWMB-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

(2S,4S)-4-chloro-2-(2-methylpropyl)oxane
CID 44411545
(2R,4S,6S)-4-chloro-2-methyl-6-(2-methylpropyl)oxane
CID 44411648
(2R,6S)-4-chloro-2,6-bis(2-methylpropyl)oxane
CID 44411649
2-Butyl-3-chloro-1-methoxypropane
CID 129773546
(2R,6S)-4-chloro-2,6-di(propan-2-yl)oxane
CID 13549665
1-Chloro-5-methoxyheptane
CID 13924041
4-Chloro-7-methyl-2-propan-2-yloxepane
CID 13999294
7-Chloro-6-methylheptan-3-ol
CID 18921100
1-Chloro-2-methylheptan-3-ol
CID 18921197
4-Chloro-2-(2-methylpropoxy)hexane
CID 21032971
3-(Chloromethyl)-2,4-diethyloxetane
CID 22160815
1-Chloro-4-methoxy-6-methylheptane
CID 53644424

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxy-2,6-dimethylheptane?
The IUPAC name of 1-chloro-5-methoxy-2,6-dimethylheptane (CID 21399083) is 1-chloro-5-methoxy-2,6-dimethylheptane.
What is the SMILES notation for 1-chloro-5-methoxy-2,6-dimethylheptane?
The canonical SMILES for 1-chloro-5-methoxy-2,6-dimethylheptane is COC(CCC(C)CCl)C(C)C.
What is the InChIKey of 1-chloro-5-methoxy-2,6-dimethylheptane?
The InChIKey is XNBYZTVQVHSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO/c1-8(2)10(12-4)6-5-9(3)7-11/h8-10H,5-7H2,1-4H3.
What are the key properties of 1-chloro-5-methoxy-2,6-dimethylheptane?
1-chloro-5-methoxy-2,6-dimethylheptane has a molecular weight of 192.73 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxy-2,6-dimethylheptane is sourced from PubChem (CID 21399083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).