3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane

C29H60 — CID 158705525

IUPAC3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CCC(CC)C(C)C
InChIInChI=1S/C8H16.C8H18.C7H14.C6H12/c1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyIIBIUXKTAGKKCL-UHFFFAOYSA-N
MW408.80 g/mol
LogP10.41
Rot. Bonds6

About 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane

3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane (PubChem CID 158705525) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane.

Molecular Properties

Compound Name3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane
PubChem CID158705525
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CCC(CC)C(C)C
InChIInChI=1S/C8H16.C8H18.C7H14.C6H12/c1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyIIBIUXKTAGKKCL-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
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CID 144516432
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CID 143236269
butan-2-ylcyclohexadecane
CID 123713671
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane?
The IUPAC name of 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane (CID 158705525) is 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane.
What is the SMILES notation for 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane?
The canonical SMILES for 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane is CC(C)C1CC1.CC(C)C1CCC1.CC(C)C1CCCC1.CCC(CC)C(C)C.
What is the InChIKey of 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane?
The InChIKey is IIBIUXKTAGKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C8H18.C7H14.C6H12/c1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6/h7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane?
3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane has a molecular weight of 408.80 g/mol, XLogP of 10.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentane;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane is sourced from PubChem (CID 158705525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).