1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene

C27H48 — CID 160572216

IUPAC1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene
SMILESCC(C)=CC1CCC(C=C(C)C)C1.CC(C)=CCCCCCCC=C(C)C
InChIInChI=1S/C14H26.C13H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4/h11-12H,5-10H2,1-4H3;7-8,12-13H,5-6,9H2,1-4H3
InChIKeyRARROWTWUAFLRV-UHFFFAOYSA-N
MW372.68 g/mol
LogP9.59
Rot. Bonds9

About 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene

1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene (PubChem CID 160572216) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene.

Molecular Properties

Compound Name1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene
PubChem CID160572216
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Name1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene
SMILESCC(C)=CC1CCC(C=C(C)C)C1.CC(C)=CCCCCCCC=C(C)C
InChIInChI=1S/C14H26.C13H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4/h11-12H,5-10H2,1-4H3;7-8,12-13H,5-6,9H2,1-4H3
InChIKeyRARROWTWUAFLRV-UHFFFAOYSA-N
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene?
The IUPAC name of 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene (CID 160572216) is 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene.
What is the SMILES notation for 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene?
The canonical SMILES for 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene is CC(C)=CC1CCC(C=C(C)C)C1.CC(C)=CCCCCCCC=C(C)C.
What is the InChIKey of 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene?
The InChIKey is RARROWTWUAFLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C13H22/c1-13(2)11-9-7-5-6-8-10-12-14(3)4;1-10(2)7-12-5-6-13(9-12)8-11(3)4/h11-12H,5-10H2,1-4H3;7-8,12-13H,5-6,9H2,1-4H3.
What are the key properties of 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene?
1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene has a molecular weight of 372.68 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylprop-1-enyl)cyclopentane;2,11-dimethyldodeca-2,10-diene is sourced from PubChem (CID 160572216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).