3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene

C19H30 — CID 123248552

IUPAC3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene
SMILESC=C(C)CCCC1=CC(=C)C(=C)CCCCCCC1
InChIInChI=1S/C19H30/c1-16(2)11-10-14-19-13-9-7-5-6-8-12-17(3)18(4)15-19/h15H,1,3-14H2,2H3
InChIKeyRRXJPYFQGINYDQ-UHFFFAOYSA-N
MW258.45 g/mol
LogP6.52
Rot. Bonds4

About 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene

3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene (PubChem CID 123248552) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene.

Molecular Properties

Compound Name3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene
PubChem CID123248552
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene
SMILESC=C(C)CCCC1=CC(=C)C(=C)CCCCCCC1
InChIInChI=1S/C19H30/c1-16(2)11-10-14-19-13-9-7-5-6-8-12-17(3)18(4)15-19/h15H,1,3-14H2,2H3
InChIKeyRRXJPYFQGINYDQ-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylpent-4-enyl)-3,4,7,8-tetrahydro-2H-oxocine
CID 123614824
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3-(3-methylbut-3-enyl)cyclohex-2-en-1-amine
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2,14-dimethylpentadeca-1,14-diene
CID 123962057
2,7-dimethylocta-1,7-diene;hydron
CID 174323451
3-dodecylcyclohept-2-en-1-one
CID 107382706
3-(3-methylbut-3-enyl)cyclopent-2-en-1-ol
CID 114477354
4-(cyclohexen-1-yl)butanamide
CID 165359181
ethane;3-(4-methylpent-4-enyl)thiophene
CID 145466682
1-cyclohexylidene-5-methylhex-5-en-2-one
CID 103457861
1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
(3Z)-3-[(2E)-3,8-dimethylnona-2,8-dienylidene]-2-methylidenepiperidine
CID 155485176

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene?
The IUPAC name of 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene (CID 123248552) is 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene.
What is the SMILES notation for 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene?
The canonical SMILES for 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene is C=C(C)CCCC1=CC(=C)C(=C)CCCCCCC1.
What is the InChIKey of 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene?
The InChIKey is RRXJPYFQGINYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30/c1-16(2)11-10-14-19-13-9-7-5-6-8-12-17(3)18(4)15-19/h15H,1,3-14H2,2H3.
What are the key properties of 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene?
3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene has a molecular weight of 258.45 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidene-1-(4-methylpent-4-enyl)cycloundecene is sourced from PubChem (CID 123248552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).