1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane

C18H36 — CID 123185482

IUPAC1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
SMILESCCCCCC1C(C)C(C(C)C)C1CCCCC
InChIInChI=1S/C18H36/c1-6-8-10-12-16-15(5)18(14(3)4)17(16)13-11-9-7-2/h14-18H,6-13H2,1-5H3
InChIKeyMYQWMAGOURLEDU-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds9

About 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane

1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane (PubChem CID 123185482) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
PubChem CID123185482
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
SMILESCCCCCC1C(C)C(C(C)C)C1CCCCC
InChIInChI=1S/C18H36/c1-6-8-10-12-16-15(5)18(14(3)4)17(16)13-11-9-7-2/h14-18H,6-13H2,1-5H3
InChIKeyMYQWMAGOURLEDU-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380
1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
(1R)-2-butyl-N-pentyl-3-propan-2-ylcyclopropan-1-amine
CID 134576838
1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
2,4-dimethyl-3-octyl-5-propylthiolane
CID 170050469
2-butyl-1,3-dimethyl-4-propan-2-ylcyclopentane
CID 123619623
N-methyl-1-(2-methyl-3-propan-2-ylcyclopropyl)methanamine
CID 164726358

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane?
The IUPAC name of 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane (CID 123185482) is 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane.
What is the SMILES notation for 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane?
The canonical SMILES for 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane is CCCCCC1C(C)C(C(C)C)C1CCCCC.
What is the InChIKey of 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane?
The InChIKey is MYQWMAGOURLEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-8-10-12-16-15(5)18(14(3)4)17(16)13-11-9-7-2/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane?
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane is sourced from PubChem (CID 123185482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).