4-(6-chlorohexoxy)-1,1-dimethylcyclohexane

C14H27ClO — CID 114340907

IUPAC4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(OCCCCCCCl)CC1
InChIInChI=1S/C14H27ClO/c1-14(2)9-7-13(8-10-14)16-12-6-4-3-5-11-15/h13H,3-12H2,1-2H3
InChIKeyAVAXUVHEOVNUTH-UHFFFAOYSA-N
MW246.82 g/mol
LogP4.77
Rot. Bonds7

About 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane

4-(6-chlorohexoxy)-1,1-dimethylcyclohexane (PubChem CID 114340907) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
PubChem CID114340907
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name4-(6-chlorohexoxy)-1,1-dimethylcyclohexane
SMILESCC1(C)CCC(OCCCCCCCl)CC1
InChIInChI=1S/C14H27ClO/c1-14(2)9-7-13(8-10-14)16-12-6-4-3-5-11-15/h13H,3-12H2,1-2H3
InChIKeyAVAXUVHEOVNUTH-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(4,4-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 114342406
2-(4,4-dimethylcyclohexyl)oxyethanesulfonyl chloride
CID 114342697
4-(chloromethyl)-2-[3-(4,4-dimethylcyclohexyl)oxypropyl]-1,3-thiazole
CID 114341703
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]hexan-1-amine
CID 114342569
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecane;14,14-dichloro-3,11-dioctoxydispiro[5.1.58.16]tetradecane
CID 88656869
1-(5-chloropentoxy)octane
CID 43348463
heptoxycyclopropane
CID 54099544
14,14-dichloro-3,11-diheptoxydispiro[5.1.58.16]tetradecan-7-one
CID 18633597
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
14-fluoro-3,11-dipentoxydispiro[5.1.58.16]tetradecane
CID 70427106
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
1-chloro-6-[2-(2-chloroethoxy)ethoxy]hexane
CID 176729124

Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane?
The IUPAC name of 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane (CID 114340907) is 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane.
What is the SMILES notation for 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane?
The canonical SMILES for 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane is CC1(C)CCC(OCCCCCCCl)CC1.
What is the InChIKey of 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane?
The InChIKey is AVAXUVHEOVNUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-14(2)9-7-13(8-10-14)16-12-6-4-3-5-11-15/h13H,3-12H2,1-2H3.
What are the key properties of 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane?
4-(6-chlorohexoxy)-1,1-dimethylcyclohexane has a molecular weight of 246.82 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexoxy)-1,1-dimethylcyclohexane is sourced from PubChem (CID 114340907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).