1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane

C28H58 — CID 143346190

IUPAC1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane
SMILESCCC(C)CC1CCC(C(C)CC)C1.CCC(CC)CC(C)CC(C)C(C)C
InChIInChI=1S/C14H28.C14H30/c1-5-11(3)9-13-7-8-14(10-13)12(4)6-2;1-7-14(8-2)10-12(5)9-13(6)11(3)4/h11-14H,5-10H2,1-4H3;11-14H,7-10H2,1-6H3
InChIKeyFZAXBSJKYPSRKA-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.02
Rot. Bonds12

About 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane

1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane (PubChem CID 143346190) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane
PubChem CID143346190
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane
SMILESCCC(C)CC1CCC(C(C)CC)C1.CCC(CC)CC(C)CC(C)C(C)C
InChIInChI=1S/C14H28.C14H30/c1-5-11(3)9-13-7-8-14(10-13)12(4)6-2;1-7-14(8-2)10-12(5)9-13(6)11(3)4/h11-14H,5-10H2,1-4H3;11-14H,7-10H2,1-6H3
InChIKeyFZAXBSJKYPSRKA-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-3-propylcyclopentane
CID 123336585
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
(5R)-2,3,5-trimethylheptane
CID 59882960
1-(methylamino)-1-[3-(2-methylbutyl)cyclopentyl]butan-2-one
CID 167006134
[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
azane;2-methylbutylcyclohexane
CID 143986613
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
(5S)-3-ethyl-5-methylheptane
CID 59094044
1-[(3-butan-2-ylcyclopentyl)methyl]piperidine
CID 71268081
1-ethyl-3-(5-methylhexan-2-yl)cyclopentane
CID 123613674

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane?
The IUPAC name of 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane (CID 143346190) is 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane.
What is the SMILES notation for 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane?
The canonical SMILES for 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane is CCC(C)CC1CCC(C(C)CC)C1.CCC(CC)CC(C)CC(C)C(C)C.
What is the InChIKey of 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane?
The InChIKey is FZAXBSJKYPSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.C14H30/c1-5-11(3)9-13-7-8-14(10-13)12(4)6-2;1-7-14(8-2)10-12(5)9-13(6)11(3)4/h11-14H,5-10H2,1-4H3;11-14H,7-10H2,1-6H3.
What are the key properties of 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane?
1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane has a molecular weight of 394.77 g/mol, XLogP of 10.02, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-methylbutyl)cyclopentane;7-ethyl-2,3,5-trimethylnonane is sourced from PubChem (CID 143346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).