(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane

C17H34 — CID 123410330

IUPAC(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
SMILESCCCC(CC)(CC(C)(C)CC)C1CCCC1
InChIInChI=1S/C17H34/c1-6-13-17(8-3,14-16(4,5)7-2)15-11-9-10-12-15/h15H,6-14H2,1-5H3
InChIKeyQUAKXVTVKOPTAR-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.20
Rot. Bonds7

About (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane

(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane (PubChem CID 123410330) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane.

Molecular Properties

Compound Name(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
PubChem CID123410330
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane
SMILESCCCC(CC)(CC(C)(C)CC)C1CCCC1
InChIInChI=1S/C17H34/c1-6-13-17(8-3,14-16(4,5)7-2)15-11-9-10-12-15/h15H,6-14H2,1-5H3
InChIKeyQUAKXVTVKOPTAR-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(chloromethyl)heptan-3-ylcycloheptane
CID 82945588
2-(2,2-dimethylbutoxy)propan-2-ylcyclopentane
CID 170050627
3-ethylpentan-3-ylcyclopropane
CID 91066295
2-cyclohexylpentan-2-ol
CID 75245103
2-cyclohexyl-2-(methoxymethyl)pentan-1-amine
CID 139927573
2-cyclopropylpentan-2-ylcyclobutane
CID 173163252
4-cyclopentylheptan-4-ol
CID 114865959
[1-cyclobutyl-2-(cyclopropylmethyl)butan-2-yl]cyclopentane
CID 54340340
(2-cyclohexyl-2-ethylbutoxy)silane
CID 123574003
3-methylpentan-3-ylcycloundecane
CID 123467319
4-cycloheptylheptan-4-ol
CID 114866126
1-cyclohexylbutane-1,1-dithiol
CID 175490889

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane?
The IUPAC name of (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane (CID 123410330) is (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane.
What is the SMILES notation for (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane?
The canonical SMILES for (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane is CCCC(CC)(CC(C)(C)CC)C1CCCC1.
What is the InChIKey of (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane?
The InChIKey is QUAKXVTVKOPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-13-17(8-3,14-16(4,5)7-2)15-11-9-10-12-15/h15H,6-14H2,1-5H3.
What are the key properties of (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane?
(4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane has a molecular weight of 238.46 g/mol, XLogP of 6.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6,6-dimethyloctan-4-yl)cyclopentane is sourced from PubChem (CID 123410330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).