5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene

C17H30O2 — CID 22140517

IUPAC5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene
SMILESCCC(OC(C)C)C1(C(CC)OC(C)C)C=CC=C1
InChIInChI=1S/C17H30O2/c1-7-15(18-13(3)4)17(11-9-10-12-17)16(8-2)19-14(5)6/h9-16H,7-8H2,1-6H3
InChIKeyPZLDQEOXDIAUIY-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.51
Rot. Bonds8

About 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene

5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene (PubChem CID 22140517) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene
PubChem CID22140517
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene
SMILESCCC(OC(C)C)C1(C(CC)OC(C)C)C=CC=C1
InChIInChI=1S/C17H30O2/c1-7-15(18-13(3)4)17(11-9-10-12-17)16(8-2)19-14(5)6/h9-16H,7-8H2,1-6H3
InChIKeyPZLDQEOXDIAUIY-UHFFFAOYSA-N
XLogP4.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene?
The IUPAC name of 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene (CID 22140517) is 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene?
The canonical SMILES for 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene is CCC(OC(C)C)C1(C(CC)OC(C)C)C=CC=C1.
What is the InChIKey of 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene?
The InChIKey is PZLDQEOXDIAUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-15(18-13(3)4)17(11-9-10-12-17)16(8-2)19-14(5)6/h9-16H,7-8H2,1-6H3.
What are the key properties of 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene?
5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene has a molecular weight of 266.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(1-propan-2-yloxypropyl)cyclopenta-1,3-diene is sourced from PubChem (CID 22140517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).