1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane

C24H46O — CID 57221812

IUPAC1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane
SMILESCCCC1(OC2(CCC)CC(C)CC(C)(C)C2)CC(C)CC(C)(C)C1
InChIInChI=1S/C24H46O/c1-9-11-23(15-19(3)13-21(5,6)17-23)25-24(12-10-2)16-20(4)14-22(7,8)18-24/h19-20H,9-18H2,1-8H3
InChIKeyVWMNGUXAJLDNJQ-UHFFFAOYSA-N
MW350.63 g/mol
LogP7.77
Rot. Bonds6

About 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane

1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane (PubChem CID 57221812) has the molecular formula C24H46O and a molecular weight of 350.63 g/mol. Its IUPAC name is 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane.

Molecular Properties

Compound Name1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane
PubChem CID57221812
Molecular FormulaC24H46O
Molecular Weight350.63 g/mol
Exact Mass350.35
IUPAC Name1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane
SMILESCCCC1(OC2(CCC)CC(C)CC(C)(C)C2)CC(C)CC(C)(C)C1
InChIInChI=1S/C24H46O/c1-9-11-23(15-19(3)13-21(5,6)17-23)25-24(12-10-2)16-20(4)14-22(7,8)18-24/h19-20H,9-18H2,1-8H3
InChIKeyVWMNGUXAJLDNJQ-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.63
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-ethyl-3,3,5-trimethylcyclohexan-1-ol
CID 134996054
2-[3,3,5-trimethyl-1-(methylaminooxy)cyclohexyl]acetic acid
CID 165457232
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
1-ethyl-1,3,3,5-tetramethylcyclohexane;methane
CID 144643068
1,1,3-trimethylcyclobutane
CID 12656861
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
1,1,3,5-tetramethyl-3-prop-2-enylcyclohexane
CID 149337768
trimethyl-[(1S)-3,3,5-trimethyl-1-(morpholin-4-ylmethyl)cyclohexyl]oxysilane
CID 154717346
1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 82237677
1-(2-cyclopropylethyl)-3,3,5-trimethylcyclohexan-1-ol
CID 106590352
1-(3-ethylsulfonylpropyl)-3,3,5-trimethylcyclohexan-1-ol
CID 65147372
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450

Frequently Asked Questions

What is the IUPAC name of 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane?
The IUPAC name of 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane (CID 57221812) is 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane.
What is the SMILES notation for 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane?
The canonical SMILES for 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane is CCCC1(OC2(CCC)CC(C)CC(C)(C)C2)CC(C)CC(C)(C)C1.
What is the InChIKey of 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane?
The InChIKey is VWMNGUXAJLDNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O/c1-9-11-23(15-19(3)13-21(5,6)17-23)25-24(12-10-2)16-20(4)14-22(7,8)18-24/h19-20H,9-18H2,1-8H3.
What are the key properties of 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane?
1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane has a molecular weight of 350.63 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane is sourced from PubChem (CID 57221812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).