ethane;4-methylpentan-2-ylcyclobutane

C18H44 — CID 158871771

IUPACethane;4-methylpentan-2-ylcyclobutane
SMILESCC.CC.CC.CC.CC(C)CC(C)C1CCC1
InChIInChI=1S/C10H20.4C2H6/c1-8(2)7-9(3)10-5-4-6-10;4*1-2/h8-10H,4-7H2,1-3H3;4*1-2H3
InChIKeyJBXXRGUFHCIOAI-UHFFFAOYSA-N
MW260.55 g/mol
LogP7.57
Rot. Bonds3

About ethane;4-methylpentan-2-ylcyclobutane

ethane;4-methylpentan-2-ylcyclobutane (PubChem CID 158871771) has the molecular formula C18H44 and a molecular weight of 260.55 g/mol. Its IUPAC name is ethane;4-methylpentan-2-ylcyclobutane.

Molecular Properties

Compound Nameethane;4-methylpentan-2-ylcyclobutane
PubChem CID158871771
Molecular FormulaC18H44
Molecular Weight260.55 g/mol
Exact Mass260.34
IUPAC Nameethane;4-methylpentan-2-ylcyclobutane
SMILESCC.CC.CC.CC.CC(C)CC(C)C1CCC1
InChIInChI=1S/C10H20.4C2H6/c1-8(2)7-9(3)10-5-4-6-10;4*1-2/h8-10H,4-7H2,1-3H3;4*1-2H3
InChIKeyJBXXRGUFHCIOAI-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.55
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(5-cyclobutyl-4-methylhexan-2-yl)cyclopentane
CID 123949424
4,5-dimethylheptan-2-ylcyclobutane
CID 123660607
butan-2-ylcyclopentane;ethane
CID 143236269
1-cyclobutyl-N,3-dimethylbutan-1-amine
CID 64986919
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
butan-2-ylcyclohexane;ethane
CID 143005290
1,2-dimethyl-4-(4-methylpentan-2-yl)cyclohexane
CID 91128405
butan-2-ylcyclohexane;ethane;propane
CID 143477078
(1-cycloheptyl-3-methylbutyl)hydrazine
CID 105198928
5-cyclopentyl-2,2-dimethylhexan-3-ol
CID 57260402
[2-(cyclopropylmethyl)-4-methylpentyl]cyclobutane
CID 57222816
(2S)-4-methylpentan-2-ol;propan-2-ylcyclopentane
CID 158186042

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylpentan-2-ylcyclobutane?
The IUPAC name of ethane;4-methylpentan-2-ylcyclobutane (CID 158871771) is ethane;4-methylpentan-2-ylcyclobutane.
What is the SMILES notation for ethane;4-methylpentan-2-ylcyclobutane?
The canonical SMILES for ethane;4-methylpentan-2-ylcyclobutane is CC.CC.CC.CC.CC(C)CC(C)C1CCC1.
What is the InChIKey of ethane;4-methylpentan-2-ylcyclobutane?
The InChIKey is JBXXRGUFHCIOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.4C2H6/c1-8(2)7-9(3)10-5-4-6-10;4*1-2/h8-10H,4-7H2,1-3H3;4*1-2H3.
What are the key properties of ethane;4-methylpentan-2-ylcyclobutane?
ethane;4-methylpentan-2-ylcyclobutane has a molecular weight of 260.55 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methylpentan-2-ylcyclobutane is sourced from PubChem (CID 158871771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).