1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane

C26H48 — CID 143978514

IUPAC1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane
SMILESCC(C)C1CCC1.CC1CC(CC2CC(C3CCCC3C(C)(C)C)C2)C1
InChIInChI=1S/C19H34.C7H14/c1-13-8-14(9-13)10-15-11-16(12-15)17-6-5-7-18(17)19(2,3)4;1-6(2)7-4-3-5-7/h13-18H,5-12H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyXRELXDDCVMNURR-UHFFFAOYSA-N
MW360.67 g/mol
LogP8.35
Rot. Bonds4

About 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane

1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane (PubChem CID 143978514) has the molecular formula C26H48 and a molecular weight of 360.67 g/mol. Its IUPAC name is 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane
PubChem CID143978514
Molecular FormulaC26H48
Molecular Weight360.67 g/mol
Exact Mass360.38
IUPAC Name1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane
SMILESCC(C)C1CCC1.CC1CC(CC2CC(C3CCCC3C(C)(C)C)C2)C1
InChIInChI=1S/C19H34.C7H14/c1-13-8-14(9-13)10-15-11-16(12-15)17-6-5-7-18(17)19(2,3)4;1-6(2)7-4-3-5-7/h13-18H,5-12H2,1-4H3;6-7H,3-5H2,1-2H3
InChIKeyXRELXDDCVMNURR-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.67
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-2-cyclopentylcyclopentane
CID 58689261
ethane;2-methylbutane;1-methyl-3-(3-methylpentyl)cyclobutane;propan-2-ylcyclobutane
CID 143682617
1-(cyclopropylmethyl)-3-propan-2-ylcyclobutane
CID 91314606
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
1,3-ditert-butyl-5-methyl-2-propan-2-ylcyclohexane
CID 140714074
1-(2-tert-butylcyclohexyl)-2-[4-(2-methylpropyl)cyclohexyl]hydrazine
CID 175403485
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 19860313
1-[2-methyl-1-(4-methylcyclohexyl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 173085901
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
4-(3,5-ditert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 123237411
ethane;1-methyl-3-[(3-methylcyclohexyl)methyl]cyclohexane
CID 171814310

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane?
The IUPAC name of 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane (CID 143978514) is 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane.
What is the SMILES notation for 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane?
The canonical SMILES for 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane is CC(C)C1CCC1.CC1CC(CC2CC(C3CCCC3C(C)(C)C)C2)C1.
What is the InChIKey of 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane?
The InChIKey is XRELXDDCVMNURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34.C7H14/c1-13-8-14(9-13)10-15-11-16(12-15)17-6-5-7-18(17)19(2,3)4;1-6(2)7-4-3-5-7/h13-18H,5-12H2,1-4H3;6-7H,3-5H2,1-2H3.
What are the key properties of 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane?
1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane has a molecular weight of 360.67 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[3-[(3-methylcyclobutyl)methyl]cyclobutyl]cyclopentane;propan-2-ylcyclobutane is sourced from PubChem (CID 143978514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).