5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane

C13H25ClO2 — CID 19985378

IUPAC5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane
SMILESCOCC1(COC)CC(Cl)CCC1C(C)C
InChIInChI=1S/C13H25ClO2/c1-10(2)12-6-5-11(14)7-13(12,8-15-3)9-16-4/h10-12H,5-9H2,1-4H3
InChIKeyRZIJGKXXYUDNFC-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane

5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane (PubChem CID 19985378) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane
PubChem CID19985378
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane
SMILESCOCC1(COC)CC(Cl)CCC1C(C)C
InChIInChI=1S/C13H25ClO2/c1-10(2)12-6-5-11(14)7-13(12,8-15-3)9-16-4/h10-12H,5-9H2,1-4H3
InChIKeyRZIJGKXXYUDNFC-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Chloromethyl)-2-(methoxymethyl)cyclohexane
CID 542465
trans-1-Chloromethyl-2-methoxymethylcyclohexane
CID 22213416
5-chloro-8,8-bis(methoxymethyl)-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
CID 19985352
1-Chloro-4-(2-chloro-1,3-dimethoxypropan-2-yl)cyclohexane
CID 19985374
1-Chloro-4-[1-ethoxy-2-(ethoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985377
1-Chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985380
1-Chloro-4-[2-(4-chlorocyclohexyl)-1,3-dimethoxypropan-2-yl]cyclohexane
CID 19985403
1-[1-Butoxy-2-(butoxymethyl)-4-methylpentan-2-yl]-4-chlorocyclohexane
CID 19985411
4-Chloro-2-(methoxymethyl)-1-(propan-2-yl)cyclohexane
CID 142630335
(1-Chloro-1-methoxypropan-2-yl)cyclohexane
CID 172263004
1-Methyl-2-[5,5,5-trichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162064
1-[5,5-Dichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]-4-methylcyclohexane
CID 174162241

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane?
The IUPAC name of 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane (CID 19985378) is 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane.
What is the SMILES notation for 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane?
The canonical SMILES for 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane is COCC1(COC)CC(Cl)CCC1C(C)C.
What is the InChIKey of 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane?
The InChIKey is RZIJGKXXYUDNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-10(2)12-6-5-11(14)7-13(12,8-15-3)9-16-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane?
5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane has a molecular weight of 248.79 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1-bis(methoxymethyl)-2-propan-2-ylcyclohexane is sourced from PubChem (CID 19985378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).