1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone

C15H24O — CID 68613852

IUPAC1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)8-9-15(10-11-15)14(4)16/h6,8H,5,7,9-11H2,1-4H3
InChIKeyHZKRTERRXQHVSV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.44
Rot. Bonds6

About 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone

1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone (PubChem CID 68613852) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone
PubChem CID68613852
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone
SMILESCC(=O)C1(CC=C(C)CCC=C(C)C)CC1
InChIInChI=1S/C15H24O/c1-12(2)6-5-7-13(3)8-9-15(10-11-15)14(4)16/h6,8H,5,7,9-11H2,1-4H3
InChIKeyHZKRTERRXQHVSV-UHFFFAOYSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropyl]ethanone
CID 59350120
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
1-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]cyclopropane-1-carboxylic acid
CID 151276822
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone?
The IUPAC name of 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone (CID 68613852) is 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone?
The canonical SMILES for 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone is CC(=O)C1(CC=C(C)CCC=C(C)C)CC1.
What is the InChIKey of 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone?
The InChIKey is HZKRTERRXQHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-5-7-13(3)8-9-15(10-11-15)14(4)16/h6,8H,5,7,9-11H2,1-4H3.
What are the key properties of 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone?
1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone has a molecular weight of 220.36 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,7-dimethylocta-2,6-dienyl)cyclopropyl]ethanone is sourced from PubChem (CID 68613852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).