5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

C20H32O — CID 178090513

IUPAC5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1
InChIInChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyKTVUUIUJKMQBIM-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.12
Rot. Bonds7

About 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene

5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (PubChem CID 178090513) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
PubChem CID178090513
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
SMILESCC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1
InChIInChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3
InChIKeyKTVUUIUJKMQBIM-UHFFFAOYSA-N
XLogP6.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene
CID 134285425
3-(8,8-dimethylnonyl)-N-[3-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-2,4-dien-1-yl]cyclopenta-2,4-dien-1-amine
CID 145170288
4-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 142734727
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
bis(1-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene);titanium(2+)
CID 175026738
9-[(2-methylpropan-2-yl)oxy]nonane-1-thiol
CID 105344392
7,7-dimethyl-1-[(2-methylpropan-2-yl)oxy]octane
CID 22907243
3-[6-[(2-methylpropan-2-yl)oxy]hexyl]-1H-indene
CID 129304045
4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
CID 86258794
1-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
1-methyl-4-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclohexene
CID 166931892

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The IUPAC name of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene (CID 178090513) is 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene.
What is the SMILES notation for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The canonical SMILES for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is CC(C)(C)OCCCCCCC1=CC(=C2CCCC2)C=C1.
What is the InChIKey of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
The InChIKey is KTVUUIUJKMQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-20(2,3)21-15-9-5-4-6-10-17-13-14-19(16-17)18-11-7-8-12-18/h13-14,16H,4-12,15H2,1-3H3.
What are the key properties of 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene?
5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene has a molecular weight of 288.47 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentylidene-2-[6-[(2-methylpropan-2-yl)oxy]hexyl]cyclopenta-1,3-diene is sourced from PubChem (CID 178090513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).