2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane

C24H48 — CID 123500793

IUPAC2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane
SMILESCCCC(C)C1CC(CC)C1CCC(C)CC(C(C)C)C(C)CC
InChIInChI=1S/C24H48/c1-9-12-20(8)24-16-21(11-3)22(24)14-13-18(6)15-23(17(4)5)19(7)10-2/h17-24H,9-16H2,1-8H3
InChIKeyQNZUSFUTXTTZCY-UHFFFAOYSA-N
MW336.65 g/mol
LogP8.21
Rot. Bonds12

About 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane

2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane (PubChem CID 123500793) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane.

Molecular Properties

Compound Name2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane
PubChem CID123500793
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane
SMILESCCCC(C)C1CC(CC)C1CCC(C)CC(C(C)C)C(C)CC
InChIInChI=1S/C24H48/c1-9-12-20(8)24-16-21(11-3)22(24)14-13-18(6)15-23(17(4)5)19(7)10-2/h17-24H,9-16H2,1-8H3
InChIKeyQNZUSFUTXTTZCY-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-[(2-pentan-2-ylcyclopropyl)methyl]cyclopropane
CID 123666565
(4S)-3-methyl-4-propan-2-ylheptane
CID 59076556
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
1,2-di(pentan-2-yl)cyclopropane
CID 123763474
1-(4-ethyl-3,6,11-trimethyldodecan-5-yl)-2-propylcyclopropane
CID 123616898
cis-(1R,2S)-1-ethyl-2-pentan-2-ylcyclohexane
CID 173346335
1-ethyl-2-nonan-2-ylcyclopropane
CID 123964320
1-ethyl-3-methyl-4-pentan-2-yl-2-propan-2-ylcyclopentane
CID 91297602
1-ethyl-2-pentan-2-ylcycloheptane
CID 123744676
1-ethyl-2-(11-methyltridecan-6-yl)cyclopropane
CID 123705938
1-(3,4-dimethylheptyl)-2-ethylcyclopropane
CID 123989323

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane?
The IUPAC name of 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane (CID 123500793) is 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane.
What is the SMILES notation for 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane?
The canonical SMILES for 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane is CCCC(C)C1CC(CC)C1CCC(C)CC(C(C)C)C(C)CC.
What is the InChIKey of 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane?
The InChIKey is QNZUSFUTXTTZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-9-12-20(8)24-16-21(11-3)22(24)14-13-18(6)15-23(17(4)5)19(7)10-2/h17-24H,9-16H2,1-8H3.
What are the key properties of 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane?
2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane has a molecular weight of 336.65 g/mol, XLogP of 8.21, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-5-propan-2-yloctyl)-1-ethyl-3-pentan-2-ylcyclobutane is sourced from PubChem (CID 123500793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).