(1Z)-1,2-dipentylcyclododecene

C22H42 — CID 13102001

IUPAC(1Z)-1,2-dipentylcyclododecene
SMILESCCCCC/C1=C(\CCCCC)CCCCCCCCCC1
InChIInChI=1S/C22H42/c1-3-5-13-17-21-19-15-11-9-7-8-10-12-16-20-22(21)18-14-6-4-2/h3-20H2,1-2H3/b22-21-
InChIKeyDTKRYGXRQVTTHD-DQRAZIAOSA-N
MW306.58 g/mol
LogP8.36
Rot. Bonds8

About (1Z)-1,2-dipentylcyclododecene

(1Z)-1,2-dipentylcyclododecene (PubChem CID 13102001) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is (1Z)-1,2-dipentylcyclododecene.

Molecular Properties

Compound Name(1Z)-1,2-dipentylcyclododecene
PubChem CID13102001
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name(1Z)-1,2-dipentylcyclododecene
SMILESCCCCC/C1=C(\CCCCC)CCCCCCCCCC1
InChIInChI=1S/C22H42/c1-3-5-13-17-21-19-15-11-9-7-8-10-12-16-20-22(21)18-14-6-4-2/h3-20H2,1-2H3/b22-21-
InChIKeyDTKRYGXRQVTTHD-DQRAZIAOSA-N
XLogP8.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 58.36
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 (1Z)-1,2-dipentylcyclododecene?
The IUPAC name of (1Z)-1,2-dipentylcyclododecene (CID 13102001) is (1Z)-1,2-dipentylcyclododecene.
What is the SMILES notation for (1Z)-1,2-dipentylcyclododecene?
The canonical SMILES for (1Z)-1,2-dipentylcyclododecene is CCCCC/C1=C(\CCCCC)CCCCCCCCCC1.
What is the InChIKey of (1Z)-1,2-dipentylcyclododecene?
The InChIKey is DTKRYGXRQVTTHD-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H42/c1-3-5-13-17-21-19-15-11-9-7-8-10-12-16-20-22(21)18-14-6-4-2/h3-20H2,1-2H3/b22-21-.
What are the key properties of (1Z)-1,2-dipentylcyclododecene?
(1Z)-1,2-dipentylcyclododecene has a molecular weight of 306.58 g/mol, XLogP of 8.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1,2-dipentylcyclododecene is sourced from PubChem (CID 13102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).