1-heptyl-2,3,4,5-tetramethylcyclopentane

C16H32 — CID 59076832

IUPAC1-heptyl-2,3,4,5-tetramethylcyclopentane
SMILESCCCCCCCC1C(C)C(C)C(C)C1C
InChIInChI=1S/C16H32/c1-6-7-8-9-10-11-16-14(4)12(2)13(3)15(16)5/h12-16H,6-11H2,1-5H3
InChIKeyLWMIEHJBWDCZME-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.52
Rot. Bonds6

About 1-heptyl-2,3,4,5-tetramethylcyclopentane

1-heptyl-2,3,4,5-tetramethylcyclopentane (PubChem CID 59076832) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-heptyl-2,3,4,5-tetramethylcyclopentane.

Molecular Properties

Compound Name1-heptyl-2,3,4,5-tetramethylcyclopentane
PubChem CID59076832
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-heptyl-2,3,4,5-tetramethylcyclopentane
SMILESCCCCCCCC1C(C)C(C)C(C)C1C
InChIInChI=1S/C16H32/c1-6-7-8-9-10-11-16-14(4)12(2)13(3)15(16)5/h12-16H,6-11H2,1-5H3
InChIKeyLWMIEHJBWDCZME-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.52
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

1,2-dimethyl-3-pentylcyclopropane
CID 524654
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
1-methyl-2-pentyl-3-propylcyclopropane
CID 123315526
1,2,3,4-tetramethyl-5-propylcyclopentane
CID 23231337
1,2,3-trimethyl-4-propylcyclobutane
CID 90876457
1,3-dimethyl-2-pentylcyclobutane
CID 91222798
2-decylbicyclo[1.1.0]butane
CID 123632675
2,4-dimethyl-3-octyl-5-propylthiolane
CID 170050469
3,4,6-trimethyl-5-pentyloxan-2-ol
CID 59637157
1-methyl-2,3-dipentyl-4-propan-2-ylcyclobutane
CID 123185482
[(1S,2S,3R)-2-hexyl-3-methylcyclopropyl]-methyl-bis(trimethylsilyloxy)silane
CID 102422602
(4S)-2-methyl-3-pentyl-5-oxabicyclo[2.1.1]hexane
CID 147411866

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-2,3,4,5-tetramethylcyclopentane?
The IUPAC name of 1-heptyl-2,3,4,5-tetramethylcyclopentane (CID 59076832) is 1-heptyl-2,3,4,5-tetramethylcyclopentane.
What is the SMILES notation for 1-heptyl-2,3,4,5-tetramethylcyclopentane?
The canonical SMILES for 1-heptyl-2,3,4,5-tetramethylcyclopentane is CCCCCCCC1C(C)C(C)C(C)C1C.
What is the InChIKey of 1-heptyl-2,3,4,5-tetramethylcyclopentane?
The InChIKey is LWMIEHJBWDCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-7-8-9-10-11-16-14(4)12(2)13(3)15(16)5/h12-16H,6-11H2,1-5H3.
What are the key properties of 1-heptyl-2,3,4,5-tetramethylcyclopentane?
1-heptyl-2,3,4,5-tetramethylcyclopentane has a molecular weight of 224.43 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-2,3,4,5-tetramethylcyclopentane is sourced from PubChem (CID 59076832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).