3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane

C18H24 — CID 561667

IUPAC3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane
SMILESC1CC1C1(C2CC2)C2C1C1C2C1(C1CC1)C1CC1
InChIInChI=1S/C18H24/c1-2-9(1)17(10-3-4-10)13-14(17)16-15(13)18(16,11-5-6-11)12-7-8-12/h9-16H,1-8H2
InChIKeyPTIDQJFRZFIZHA-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.10
Rot. Bonds4

About 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane

3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane (PubChem CID 561667) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane
PubChem CID561667
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane
SMILESC1CC1C1(C2CC2)C2C1C1C2C1(C1CC1)C1CC1
InChIInChI=1S/C18H24/c1-2-9(1)17(10-3-4-10)13-14(17)16-15(13)18(16,11-5-6-11)12-7-8-12/h9-16H,1-8H2
InChIKeyPTIDQJFRZFIZHA-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane (CID 561667) is 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane is C1CC1C1(C2CC2)C2C1C1C2C1(C1CC1)C1CC1.
What is the InChIKey of 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane?
The InChIKey is PTIDQJFRZFIZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-9(1)17(10-3-4-10)13-14(17)16-15(13)18(16,11-5-6-11)12-7-8-12/h9-16H,1-8H2.
What are the key properties of 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane?
3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane has a molecular weight of 240.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetracyclopropyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 561667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).