1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane

C18H34 — CID 123649878

IUPAC1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
SMILESCCCCCC1C(C)CC1C1(C)CC(CCC)C1
InChIInChI=1S/C18H34/c1-5-7-8-10-16-14(3)11-17(16)18(4)12-15(13-18)9-6-2/h14-17H,5-13H2,1-4H3
InChIKeyOLGXHCVMLGKQGF-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.06
Rot. Bonds7

About 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane

1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane (PubChem CID 123649878) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane.

Molecular Properties

Compound Name1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
PubChem CID123649878
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
SMILESCCCCCC1C(C)CC1C1(C)CC(CCC)C1
InChIInChI=1S/C18H34/c1-5-7-8-10-16-14(3)11-17(16)18(4)12-15(13-18)9-6-2/h14-17H,5-13H2,1-4H3
InChIKeyOLGXHCVMLGKQGF-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.06
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

1,3-dimethyl-2-pentylcyclobutane
CID 91222798
4-decyl-1,1,2,2-tetramethylcyclopentane
CID 151279869
1,1-dimethyl-3-propylcyclobutane
CID 19073360
2,6-dihexylspiro[3.3]heptane
CID 58679549
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
1-ethyl-3-methyl-2-pentylcyclopentane
CID 91079962
1,2-dimethyl-3-pentylcyclopropane
CID 524654
2-decylbicyclo[1.1.0]butane
CID 123632675
1-methyl-2-pentadecylcyclopropane
CID 54385825
cis-(1S,2R)-1,2-diethyl-1,2-dimethyl-4-propylcyclopentane
CID 143682389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane?
The IUPAC name of 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane (CID 123649878) is 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane.
What is the SMILES notation for 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane?
The canonical SMILES for 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane is CCCCCC1C(C)CC1C1(C)CC(CCC)C1.
What is the InChIKey of 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane?
The InChIKey is OLGXHCVMLGKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-5-7-8-10-16-14(3)11-17(16)18(4)12-15(13-18)9-6-2/h14-17H,5-13H2,1-4H3.
What are the key properties of 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane?
1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane has a molecular weight of 250.47 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane is sourced from PubChem (CID 123649878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).