1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene

C17H30 — CID 18783370

IUPAC1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(C)(CC)C1=C(C(C)(CC)CC)CC=C1
InChIInChI=1S/C17H30/c1-7-16(5,8-2)14-12-11-13-15(14)17(6,9-3)10-4/h11-12H,7-10,13H2,1-6H3
InChIKeyDPBDNJKOXRSJEM-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.90
Rot. Bonds6

About 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene

1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene (PubChem CID 18783370) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene
PubChem CID18783370
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene
SMILESCCC(C)(CC)C1=C(C(C)(CC)CC)CC=C1
InChIInChI=1S/C17H30/c1-7-16(5,8-2)14-12-11-13-15(14)17(6,9-3)10-4/h11-12H,7-10,13H2,1-6H3
InChIKeyDPBDNJKOXRSJEM-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene (CID 18783370) is 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene is CCC(C)(CC)C1=C(C(C)(CC)CC)CC=C1.
What is the InChIKey of 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene?
The InChIKey is DPBDNJKOXRSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-7-16(5,8-2)14-12-11-13-15(14)17(6,9-3)10-4/h11-12H,7-10,13H2,1-6H3.
What are the key properties of 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene?
1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene has a molecular weight of 234.43 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-methylpentan-3-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 18783370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).