1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane

C25H48 — CID 143344409

IUPAC1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane
SMILESCCC1CCC(C)CC(C)C(CC2CCCC(C)C(C)C(C)C2)C1C
InChIInChI=1S/C25H48/c1-8-24-13-12-17(2)14-20(5)25(22(24)7)16-23-11-9-10-18(3)21(6)19(4)15-23/h17-25H,8-16H2,1-7H3
InChIKeySDWNVXIBDZNTLC-UHFFFAOYSA-N
MW348.66 g/mol
LogP8.21
Rot. Bonds3

About 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane

1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane (PubChem CID 143344409) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane.

Molecular Properties

Compound Name1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane
PubChem CID143344409
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Name1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane
SMILESCCC1CCC(C)CC(C)C(CC2CCCC(C)C(C)C(C)C2)C1C
InChIInChI=1S/C25H48/c1-8-24-13-12-17(2)14-20(5)25(22(24)7)16-23-11-9-10-18(3)21(6)19(4)15-23/h17-25H,8-16H2,1-7H3
InChIKeySDWNVXIBDZNTLC-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571
butane;1-ethyl-2,3-dimethylcyclopentane
CID 144921835
(1S,2R,3R)-1-ethyl-2,3-dimethylcyclopentane
CID 6431519
1,3,6-triethyl-2-methylcyclononane
CID 58552764
2,3,5-trimethyl-1-propylcycloheptane
CID 123381227
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1,3-diethyl-2-methylcyclopentane
CID 123589151
2-methyl-4-[(3-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 90208733
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
(1S,2S,4S)-2-ethyl-1,4-dimethylcyclohexane
CID 145320876

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane?
The IUPAC name of 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane (CID 143344409) is 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane.
What is the SMILES notation for 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane?
The canonical SMILES for 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane is CCC1CCC(C)CC(C)C(CC2CCCC(C)C(C)C(C)C2)C1C.
What is the InChIKey of 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane?
The InChIKey is SDWNVXIBDZNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-8-24-13-12-17(2)14-20(5)25(22(24)7)16-23-11-9-10-18(3)21(6)19(4)15-23/h17-25H,8-16H2,1-7H3.
What are the key properties of 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane?
1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane has a molecular weight of 348.66 g/mol, XLogP of 8.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,6-trimethyl-3-[(3,4,5-trimethylcyclooctyl)methyl]cyclooctane is sourced from PubChem (CID 143344409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).