[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane

C26H46O — CID 56630674

IUPAC[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane
SMILESC1CCC(C(OC(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H46O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2
InChIKeyRRQNTTZWWHUOQO-UHFFFAOYSA-N
MW374.65 g/mol
LogP8.06
Rot. Bonds6

About [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane

[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane (PubChem CID 56630674) has the molecular formula C26H46O and a molecular weight of 374.65 g/mol. Its IUPAC name is [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane.

Molecular Properties

Compound Name[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane
PubChem CID56630674
Molecular FormulaC26H46O
Molecular Weight374.65 g/mol
Exact Mass374.35
IUPAC Name[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane
SMILESC1CCC(C(OC(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1
InChIInChI=1S/C26H46O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2
InChIKeyRRQNTTZWWHUOQO-UHFFFAOYSA-N
XLogP8.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane?
The IUPAC name of [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane (CID 56630674) is [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane.
What is the SMILES notation for [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane?
The canonical SMILES for [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane is C1CCC(C(OC(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1.
What is the InChIKey of [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane?
The InChIKey is RRQNTTZWWHUOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)27-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-26H,1-20H2.
What are the key properties of [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane?
[cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane has a molecular weight of 374.65 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(dicyclohexylmethoxy)methyl]cyclohexane is sourced from PubChem (CID 56630674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).