1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane

C16H28 — CID 91432933

IUPAC1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane
SMILESC=CC(=CC)C(C)CCCC(C)C1CC1C
InChIInChI=1S/C16H28/c1-6-15(7-2)12(3)9-8-10-13(4)16-11-14(16)5/h6-7,12-14,16H,1,8-11H2,2-5H3
InChIKeyDPAZUCOJLJCSQP-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.22
Rot. Bonds7

About 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane

1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane (PubChem CID 91432933) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane
PubChem CID91432933
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane
SMILESC=CC(=CC)C(C)CCCC(C)C1CC1C
InChIInChI=1S/C16H28/c1-6-15(7-2)12(3)9-8-10-13(4)16-11-14(16)5/h6-7,12-14,16H,1,8-11H2,2-5H3
InChIKeyDPAZUCOJLJCSQP-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane?
The IUPAC name of 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane (CID 91432933) is 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane.
What is the SMILES notation for 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane?
The canonical SMILES for 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane is C=CC(=CC)C(C)CCCC(C)C1CC1C.
What is the InChIKey of 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane?
The InChIKey is DPAZUCOJLJCSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-15(7-2)12(3)9-8-10-13(4)16-11-14(16)5/h6-7,12-14,16H,1,8-11H2,2-5H3.
What are the key properties of 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane?
1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane has a molecular weight of 220.40 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethenyl-6-methylnon-7-en-2-yl)-2-methylcyclopropane is sourced from PubChem (CID 91432933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).