1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane

C17H30 — CID 90854721

IUPAC1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane
SMILESC=CCCCCCC1(C)CC(C(C=C)CC)C1
InChIInChI=1S/C17H30/c1-5-8-9-10-11-12-17(4)13-16(14-17)15(6-2)7-3/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyDWXMOHAVSUIBPE-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.75
Rot. Bonds9

About 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane

1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane (PubChem CID 90854721) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane.

Molecular Properties

Compound Name1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane
PubChem CID90854721
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane
SMILESC=CCCCCCC1(C)CC(C(C=C)CC)C1
InChIInChI=1S/C17H30/c1-5-8-9-10-11-12-17(4)13-16(14-17)15(6-2)7-3/h5-6,15-16H,1-2,7-14H2,3-4H3
InChIKeyDWXMOHAVSUIBPE-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane?
The IUPAC name of 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane (CID 90854721) is 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane.
What is the SMILES notation for 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane?
The canonical SMILES for 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane is C=CCCCCCC1(C)CC(C(C=C)CC)C1.
What is the InChIKey of 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane?
The InChIKey is DWXMOHAVSUIBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-5-8-9-10-11-12-17(4)13-16(14-17)15(6-2)7-3/h5-6,15-16H,1-2,7-14H2,3-4H3.
What are the key properties of 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane?
1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane has a molecular weight of 234.43 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enyl-1-methyl-3-pent-1-en-3-ylcyclobutane is sourced from PubChem (CID 90854721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).