1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane

C17H28 — CID 140742695

IUPAC1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
SMILESCC(C)=CCC/C(C)=C/CCC1(C2CC2)CC1
InChIInChI=1S/C17H28/c1-14(2)6-4-7-15(3)8-5-11-17(12-13-17)16-9-10-16/h6,8,16H,4-5,7,9-13H2,1-3H3/b15-8+
InChIKeyCOXLHOYZQSFDJQ-OVCLIPMQSA-N
MW232.41 g/mol
LogP5.65
Rot. Bonds7

About 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane

1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane (PubChem CID 140742695) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane.

Molecular Properties

Compound Name1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
PubChem CID140742695
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
SMILESCC(C)=CCC/C(C)=C/CCC1(C2CC2)CC1
InChIInChI=1S/C17H28/c1-14(2)6-4-7-15(3)8-5-11-17(12-13-17)16-9-10-16/h6,8,16H,4-5,7,9-13H2,1-3H3/b15-8+
InChIKeyCOXLHOYZQSFDJQ-OVCLIPMQSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.65
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

alpha-Thujene
CID 17868
Bicyclogermacrene
CID 13894537
(-)-alpha-Thujene
CID 637518
Casbene
CID 5280437
(2Z,6Z)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 21159022
(+)-Bicyclogermacrene
CID 5315347
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 44583886
Pacificin I
CID 21574270
trans-Bicyclogermacradiene
CID 11820258
(+)-alpha-Thujene
CID 12444324
Isobicyclogermacrene
CID 16055278
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo(8.1.0)undeca-2,6-diene
CID 13894533

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane?
The IUPAC name of 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane (CID 140742695) is 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane.
What is the SMILES notation for 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane?
The canonical SMILES for 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane is CC(C)=CCC/C(C)=C/CCC1(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane?
The InChIKey is COXLHOYZQSFDJQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C17H28/c1-14(2)6-4-7-15(3)8-5-11-17(12-13-17)16-9-10-16/h6,8,16H,4-5,7,9-13H2,1-3H3/b15-8+.
What are the key properties of 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane?
1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane has a molecular weight of 232.41 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane is sourced from PubChem (CID 140742695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).