1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane

C15H30 — CID 123829002

IUPAC1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane
SMILESCCCCC(C)(C)C1(C)CCC(C)(C)C1
InChIInChI=1S/C15H30/c1-7-8-9-14(4,5)15(6)11-10-13(2,3)12-15/h7-12H2,1-6H3
InChIKeyXHBONFUMBMBIHI-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.42
Rot. Bonds4

About 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane

1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane (PubChem CID 123829002) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane
PubChem CID123829002
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane
SMILESCCCCC(C)(C)C1(C)CCC(C)(C)C1
InChIInChI=1S/C15H30/c1-7-8-9-14(4,5)15(6)11-10-13(2,3)12-15/h7-12H2,1-6H3
InChIKeyXHBONFUMBMBIHI-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane?
The IUPAC name of 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane (CID 123829002) is 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane.
What is the SMILES notation for 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane?
The canonical SMILES for 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane is CCCCC(C)(C)C1(C)CCC(C)(C)C1.
What is the InChIKey of 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane?
The InChIKey is XHBONFUMBMBIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-7-8-9-14(4,5)15(6)11-10-13(2,3)12-15/h7-12H2,1-6H3.
What are the key properties of 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane?
1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane has a molecular weight of 210.40 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(2-methylhexan-2-yl)cyclopentane is sourced from PubChem (CID 123829002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).