3,4,5-trimethylhexan-2-ylcyclopropane

C12H24 — CID 91122499

IUPAC3,4,5-trimethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyBFZWBHTTWZLFCY-UHFFFAOYSA-N
MW168.32 g/mol
LogP3.96
Rot. Bonds4

About 3,4,5-trimethylhexan-2-ylcyclopropane

3,4,5-trimethylhexan-2-ylcyclopropane (PubChem CID 91122499) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 3,4,5-trimethylhexan-2-ylcyclopropane.

Molecular Properties

Compound Name3,4,5-trimethylhexan-2-ylcyclopropane
PubChem CID91122499
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name3,4,5-trimethylhexan-2-ylcyclopropane
SMILESCC(C)C(C)C(C)C(C)C1CC1
InChIInChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3
InChIKeyBFZWBHTTWZLFCY-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylhexan-2-ylcyclopropane?
The IUPAC name of 3,4,5-trimethylhexan-2-ylcyclopropane (CID 91122499) is 3,4,5-trimethylhexan-2-ylcyclopropane.
What is the SMILES notation for 3,4,5-trimethylhexan-2-ylcyclopropane?
The canonical SMILES for 3,4,5-trimethylhexan-2-ylcyclopropane is CC(C)C(C)C(C)C(C)C1CC1.
What is the InChIKey of 3,4,5-trimethylhexan-2-ylcyclopropane?
The InChIKey is BFZWBHTTWZLFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8(2)9(3)10(4)11(5)12-6-7-12/h8-12H,6-7H2,1-5H3.
What are the key properties of 3,4,5-trimethylhexan-2-ylcyclopropane?
3,4,5-trimethylhexan-2-ylcyclopropane has a molecular weight of 168.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylhexan-2-ylcyclopropane is sourced from PubChem (CID 91122499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).