tricyclopropylmethylcyclopropane

C13H20 — CID 57417320

IUPACtricyclopropylmethylcyclopropane
SMILESC1CC1C(C1CC1)(C1CC1)C1CC1
InChIInChI=1S/C13H20/c1-2-9(1)13(10-3-4-10,11-5-6-11)12-7-8-12/h9-12H,1-8H2
InChIKeyKXAOPBGXMXVCRN-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.61
Rot. Bonds4

About tricyclopropylmethylcyclopropane

tricyclopropylmethylcyclopropane (PubChem CID 57417320) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is tricyclopropylmethylcyclopropane.

Molecular Properties

Compound Nametricyclopropylmethylcyclopropane
PubChem CID57417320
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Nametricyclopropylmethylcyclopropane
SMILESC1CC1C(C1CC1)(C1CC1)C1CC1
InChIInChI=1S/C13H20/c1-2-9(1)13(10-3-4-10,11-5-6-11)12-7-8-12/h9-12H,1-8H2
InChIKeyKXAOPBGXMXVCRN-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tricyclopropylmethylcyclopropane?
The IUPAC name of tricyclopropylmethylcyclopropane (CID 57417320) is tricyclopropylmethylcyclopropane.
What is the SMILES notation for tricyclopropylmethylcyclopropane?
The canonical SMILES for tricyclopropylmethylcyclopropane is C1CC1C(C1CC1)(C1CC1)C1CC1.
What is the InChIKey of tricyclopropylmethylcyclopropane?
The InChIKey is KXAOPBGXMXVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-2-9(1)13(10-3-4-10,11-5-6-11)12-7-8-12/h9-12H,1-8H2.
What are the key properties of tricyclopropylmethylcyclopropane?
tricyclopropylmethylcyclopropane has a molecular weight of 176.30 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopropylmethylcyclopropane is sourced from PubChem (CID 57417320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).