1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane

C14H24 — CID 91599172

IUPAC1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane
SMILESCCC(C)C12CCC3CCC(C1C)C32
InChIInChI=1S/C14H24/c1-4-9(2)14-8-7-11-5-6-12(10(14)3)13(11)14/h9-13H,4-8H2,1-3H3
InChIKeyHHBLFTNFQPHDTL-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.10
Rot. Bonds2

About 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane

1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane (PubChem CID 91599172) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane.

Molecular Properties

Compound Name1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane
PubChem CID91599172
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane
SMILESCCC(C)C12CCC3CCC(C1C)C32
InChIInChI=1S/C14H24/c1-4-9(2)14-8-7-11-5-6-12(10(14)3)13(11)14/h9-13H,4-8H2,1-3H3
InChIKeyHHBLFTNFQPHDTL-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane?
The IUPAC name of 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane (CID 91599172) is 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane.
What is the SMILES notation for 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane?
The canonical SMILES for 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane is CCC(C)C12CCC3CCC(C1C)C32.
What is the InChIKey of 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane?
The InChIKey is HHBLFTNFQPHDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-9(2)14-8-7-11-5-6-12(10(14)3)13(11)14/h9-13H,4-8H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane?
1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane has a molecular weight of 192.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-methyltricyclo[4.2.1.03,9]nonane is sourced from PubChem (CID 91599172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).