4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane

C25H46O — CID 175597724

IUPAC4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
SMILESCCCC1CCC(OCC2(CCC)CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-8-21-11-13-24(14-12-21)26-20-25(17-4-2)18-15-23(16-19-25)22-9-6-5-7-10-22/h21-24H,3-20H2,1-2H3
InChIKeySUPDBZIIOAOFST-UHFFFAOYSA-N
MW362.64 g/mol
LogP7.92
Rot. Bonds8

About 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane

4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane (PubChem CID 175597724) has the molecular formula C25H46O and a molecular weight of 362.64 g/mol. Its IUPAC name is 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
PubChem CID175597724
Molecular FormulaC25H46O
Molecular Weight362.64 g/mol
Exact Mass362.35
IUPAC Name4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
SMILESCCCC1CCC(OCC2(CCC)CCC(C3CCCCC3)CC2)CC1
InChIInChI=1S/C25H46O/c1-3-8-21-11-13-24(14-12-21)26-20-25(17-4-2)18-15-23(16-19-25)22-9-6-5-7-10-22/h21-24H,3-20H2,1-2H3
InChIKeySUPDBZIIOAOFST-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-6-propylcyclodecane
CID 58552139
1-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,1,4-tripropylcyclohexane
CID 173085935
1-cyclohexyl-4-nonylcyclohexane
CID 56627592
1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane
CID 170952642
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22382934
1-pentyl-4-[3-[4-(4-propylcyclohexyl)cyclohexyl]oxypropyl]cyclohexane
CID 19739113
4-pentyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane-1-carbonitrile
CID 18597062
1-methyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 22886280
1-ethyl-4-[4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexyl]cyclohexane
CID 22886261
1-ethyl-1-hexyl-4-(4-hexylcyclohexyl)cyclohexane
CID 18597123
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane?
The IUPAC name of 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane (CID 175597724) is 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane?
The canonical SMILES for 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane is CCCC1CCC(OCC2(CCC)CCC(C3CCCCC3)CC2)CC1.
What is the InChIKey of 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane?
The InChIKey is SUPDBZIIOAOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46O/c1-3-8-21-11-13-24(14-12-21)26-20-25(17-4-2)18-15-23(16-19-25)22-9-6-5-7-10-22/h21-24H,3-20H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane?
4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane has a molecular weight of 362.64 g/mol, XLogP of 7.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane is sourced from PubChem (CID 175597724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).