1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane

C14H28 — CID 123502535

IUPAC1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane
SMILESCCCC1CC(C(C)C(C)(C)CC)C1
InChIInChI=1S/C14H28/c1-6-8-12-9-13(10-12)11(3)14(4,5)7-2/h11-13H,6-10H2,1-5H3
InChIKeyRJZYDIPSJUYWII-UHFFFAOYSA-N
MW196.38 g/mol
LogP4.89
Rot. Bonds5

About 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane

1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane (PubChem CID 123502535) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane.

Molecular Properties

Compound Name1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane
PubChem CID123502535
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane
SMILESCCCC1CC(C(C)C(C)(C)CC)C1
InChIInChI=1S/C14H28/c1-6-8-12-9-13(10-12)11(3)14(4,5)7-2/h11-13H,6-10H2,1-5H3
InChIKeyRJZYDIPSJUYWII-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyl-2-[1-(3-propylcyclobutyl)ethyl]heptane-1,3-diamine
CID 146323959
1-[1-[(3R)-3,4-dimethylcyclopentyl]ethyl]-4-propylcyclohexane
CID 142573573
1-heptan-2-yl-3-propylcyclobutane
CID 123811965
1-(1-chloroethyl)-3-propylcyclopentane
CID 130233660
1-butan-2-yl-3-propylcyclopentane
CID 123336585
1,3-ditert-butyl-2-methyl-5-propylcyclohexane
CID 158500744
1-butyl-3,5-dipropylcyclohexane
CID 145132341
1,3-dimethyl-5-propylcyclohexane
CID 13144142
ethane;1-ethyl-4-propylcyclohexane;2-methylpropane
CID 166536374
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304
[2-(2-cyclopropylethyl)-3,3-dimethylpentyl]cyclopropane
CID 173203928
4,5,5-trimethylheptylcyclopropane
CID 123484430

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane?
The IUPAC name of 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane (CID 123502535) is 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane.
What is the SMILES notation for 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane?
The canonical SMILES for 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane is CCCC1CC(C(C)C(C)(C)CC)C1.
What is the InChIKey of 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane?
The InChIKey is RJZYDIPSJUYWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-8-12-9-13(10-12)11(3)14(4,5)7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane?
1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane has a molecular weight of 196.38 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentan-2-yl)-3-propylcyclobutane is sourced from PubChem (CID 123502535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).