1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane

C25H46 — CID 142091876

IUPAC1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane
SMILESC=C(C)C1CC2CC1C(CC)C2C(CC)CC.CCC1(C)CCCC1
InChIInChI=1S/C17H30.C8H16/c1-6-12(7-2)17-13-9-15(11(4)5)16(10-13)14(17)8-3;1-3-8(2)6-4-5-7-8/h12-17H,4,6-10H2,1-3,5H3;3-7H2,1-2H3
InChIKeyRCBGOXPMNLKWCC-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.27
Rot. Bonds6

About 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane

1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane (PubChem CID 142091876) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane
PubChem CID142091876
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane
SMILESC=C(C)C1CC2CC1C(CC)C2C(CC)CC.CCC1(C)CCCC1
InChIInChI=1S/C17H30.C8H16/c1-6-12(7-2)17-13-9-15(11(4)5)16(10-13)14(17)8-3;1-3-8(2)6-4-5-7-8/h12-17H,4,6-10H2,1-3,5H3;3-7H2,1-2H3
InChIKeyRCBGOXPMNLKWCC-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The IUPAC name of 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane (CID 142091876) is 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane is C=C(C)C1CC2CC1C(CC)C2C(CC)CC.CCC1(C)CCCC1.
What is the InChIKey of 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane?
The InChIKey is RCBGOXPMNLKWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30.C8H16/c1-6-12(7-2)17-13-9-15(11(4)5)16(10-13)14(17)8-3;1-3-8(2)6-4-5-7-8/h12-17H,4,6-10H2,1-3,5H3;3-7H2,1-2H3.
What are the key properties of 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane?
1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane has a molecular weight of 346.64 g/mol, XLogP of 8.27, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylcyclopentane;3-ethyl-2-pentan-3-yl-5-prop-1-en-2-ylbicyclo[2.2.1]heptane is sourced from PubChem (CID 142091876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).