1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane

C16H32 — CID 90870051

IUPAC1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
SMILESCCC(C(C)C(C)C)C1(C)C(C)C(C)C1C
InChIInChI=1S/C16H32/c1-9-15(11(4)10(2)3)16(8)13(6)12(5)14(16)7/h10-15H,9H2,1-8H3
InChIKeyOMHPMADPDHYDTP-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.23
Rot. Bonds4

About 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane

1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane (PubChem CID 90870051) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane.

Molecular Properties

Compound Name1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
PubChem CID90870051
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane
SMILESCCC(C(C)C(C)C)C1(C)C(C)C(C)C1C
InChIInChI=1S/C16H32/c1-9-15(11(4)10(2)3)16(8)13(6)12(5)14(16)7/h10-15H,9H2,1-8H3
InChIKeyOMHPMADPDHYDTP-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane?
The IUPAC name of 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane (CID 90870051) is 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane.
What is the SMILES notation for 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane?
The canonical SMILES for 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane is CCC(C(C)C(C)C)C1(C)C(C)C(C)C1C.
What is the InChIKey of 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane?
The InChIKey is OMHPMADPDHYDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-9-15(11(4)10(2)3)16(8)13(6)12(5)14(16)7/h10-15H,9H2,1-8H3.
What are the key properties of 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane?
1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane has a molecular weight of 224.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylhexan-3-yl)-1,2,3,4-tetramethylcyclobutane is sourced from PubChem (CID 90870051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).