3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane

C27H56 — CID 143367876

IUPAC3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane
SMILESCCCC(CC)CCC(C)CC.CCCCCC(C)(C)C(C)C1CCCC1
InChIInChI=1S/C15H30.C12H26/c1-5-6-9-12-15(3,4)13(2)14-10-7-8-11-14;1-5-8-12(7-3)10-9-11(4)6-2/h13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyBTBZQURQBZPYRN-UHFFFAOYSA-N
MW380.75 g/mol
LogP10.06
Rot. Bonds13

About 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane

3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane (PubChem CID 143367876) has the molecular formula C27H56 and a molecular weight of 380.75 g/mol. Its IUPAC name is 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane.

Molecular Properties

Compound Name3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane
PubChem CID143367876
Molecular FormulaC27H56
Molecular Weight380.75 g/mol
Exact Mass380.44
IUPAC Name3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane
SMILESCCCC(CC)CCC(C)CC.CCCCCC(C)(C)C(C)C1CCCC1
InChIInChI=1S/C15H30.C12H26/c1-5-6-9-12-15(3,4)13(2)14-10-7-8-11-14;1-5-8-12(7-3)10-9-11(4)6-2/h13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3
InChIKeyBTBZQURQBZPYRN-UHFFFAOYSA-N
XLogP10.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.75
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,8-trimethyldecan-2-ylcyclopropane
CID 123327548
6-ethyl-3-methylnonane;methane
CID 142358245
4-ethylheptane;3-methylheptane
CID 143099611
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;bis(2-methylhexane);3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159141613
(2R)-1,2-dimethylcyclohexane;2,2-dimethylpentane;3-ethylpentane;heptane;methane;bis(2-methylhexane);(3R)-3-methylhexane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;1,1,4-trimethylcyclohexane;1,2,3-trimethylcyclohexane
CID 159815001
6-ethyl-2,3,3-trimethylnonane
CID 57492087
butylcyclohexane;4-ethylundecane
CID 174961774
N-(6-methylundecan-6-yl)cyclopentanamine
CID 134356805
3-ethylhexylcyclopentane
CID 123372890
(3S,10S,13S)-13-ethyl-3,10-dimethylhexadecan-3-ol
CID 155226811
(7-ethyl-5-methyldodecan-4-yl)cyclobutane
CID 123270914
11-ethyl-3-methyltetradecane
CID 123200411

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane?
The IUPAC name of 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane (CID 143367876) is 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane.
What is the SMILES notation for 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane?
The canonical SMILES for 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane is CCCC(CC)CCC(C)CC.CCCCCC(C)(C)C(C)C1CCCC1.
What is the InChIKey of 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane?
The InChIKey is BTBZQURQBZPYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30.C12H26/c1-5-6-9-12-15(3,4)13(2)14-10-7-8-11-14;1-5-8-12(7-3)10-9-11(4)6-2/h13-14H,5-12H2,1-4H3;11-12H,5-10H2,1-4H3.
What are the key properties of 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane?
3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane has a molecular weight of 380.75 g/mol, XLogP of 10.06, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane is sourced from PubChem (CID 143367876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).