1-butylprismane

C10H14 — CID 57166930

IUPAC1-butylprismane
SMILESCCCCC12C3C4C3C1C42
InChIInChI=1S/C10H14/c1-2-3-4-10-7-5-6(7)9(10)8(5)10/h5-9H,2-4H2,1H3
InChIKeyGIGPENMBMUTIFE-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.30
Rot. Bonds3

About 1-butylprismane

1-butylprismane (PubChem CID 57166930) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-butylprismane.

Molecular Properties

Compound Name1-butylprismane
PubChem CID57166930
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-butylprismane
SMILESCCCCC12C3C4C3C1C42
InChIInChI=1S/C10H14/c1-2-3-4-10-7-5-6(7)9(10)8(5)10/h5-9H,2-4H2,1H3
InChIKeyGIGPENMBMUTIFE-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-butylprismane?
The IUPAC name of 1-butylprismane (CID 57166930) is 1-butylprismane.
What is the SMILES notation for 1-butylprismane?
The canonical SMILES for 1-butylprismane is CCCCC12C3C4C3C1C42.
What is the InChIKey of 1-butylprismane?
The InChIKey is GIGPENMBMUTIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-4-10-7-5-6(7)9(10)8(5)10/h5-9H,2-4H2,1H3.
What are the key properties of 1-butylprismane?
1-butylprismane has a molecular weight of 134.22 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylprismane is sourced from PubChem (CID 57166930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).