1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene

C17H26 — CID 101061054

IUPAC1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene
SMILESC=CCC(C)(C)C1=CCC(C(C)(C)CC=C)=C1
InChIInChI=1S/C17H26/c1-7-11-16(3,4)14-9-10-15(13-14)17(5,6)12-8-2/h7-9,13H,1-2,10-12H2,3-6H3
InChIKeyDWSIJQQCNHOFAH-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.45
Rot. Bonds6

About 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene

1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene (PubChem CID 101061054) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene
PubChem CID101061054
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene
SMILESC=CCC(C)(C)C1=CCC(C(C)(C)CC=C)=C1
InChIInChI=1S/C17H26/c1-7-11-16(3,4)14-9-10-15(13-14)17(5,6)12-8-2/h7-9,13H,1-2,10-12H2,3-6H3
InChIKeyDWSIJQQCNHOFAH-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene (CID 101061054) is 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene is C=CCC(C)(C)C1=CCC(C(C)(C)CC=C)=C1.
What is the InChIKey of 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene?
The InChIKey is DWSIJQQCNHOFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-11-16(3,4)14-9-10-15(13-14)17(5,6)12-8-2/h7-9,13H,1-2,10-12H2,3-6H3.
What are the key properties of 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene?
1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene has a molecular weight of 230.39 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylpent-4-en-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 101061054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).