1,3,5-tricyclopropyladamantane

C19H28 — CID 154595703

IUPAC1,3,5-tricyclopropyladamantane
SMILESC1CC1C12CC3CC(C4CC4)(C1)CC(C1CC1)(C3)C2
InChIInChI=1S/C19H28/c1-2-14(1)17-7-13-8-18(10-17,15-3-4-15)12-19(9-13,11-17)16-5-6-16/h13-16H,1-12H2
InChIKeyYHPTXSFMTPTLNQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.17
Rot. Bonds3

About 1,3,5-tricyclopropyladamantane

1,3,5-tricyclopropyladamantane (PubChem CID 154595703) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1,3,5-tricyclopropyladamantane.

Molecular Properties

Compound Name1,3,5-tricyclopropyladamantane
PubChem CID154595703
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1,3,5-tricyclopropyladamantane
SMILESC1CC1C12CC3CC(C4CC4)(C1)CC(C1CC1)(C3)C2
InChIInChI=1S/C19H28/c1-2-14(1)17-7-13-8-18(10-17,15-3-4-15)12-19(9-13,11-17)16-5-6-16/h13-16H,1-12H2
InChIKeyYHPTXSFMTPTLNQ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tricyclopropyladamantane?
The IUPAC name of 1,3,5-tricyclopropyladamantane (CID 154595703) is 1,3,5-tricyclopropyladamantane.
What is the SMILES notation for 1,3,5-tricyclopropyladamantane?
The canonical SMILES for 1,3,5-tricyclopropyladamantane is C1CC1C12CC3CC(C4CC4)(C1)CC(C1CC1)(C3)C2.
What is the InChIKey of 1,3,5-tricyclopropyladamantane?
The InChIKey is YHPTXSFMTPTLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-2-14(1)17-7-13-8-18(10-17,15-3-4-15)12-19(9-13,11-17)16-5-6-16/h13-16H,1-12H2.
What are the key properties of 1,3,5-tricyclopropyladamantane?
1,3,5-tricyclopropyladamantane has a molecular weight of 256.43 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tricyclopropyladamantane is sourced from PubChem (CID 154595703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).